N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide

N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide

CAS: 1801253-04-2

Formula: C24H22ClN5O

SMILES: CC1=CC(N)=NC(C)=C1CNC(=O)C1=CC(CC2=CC3=CC(Cl)=CN=C3C=C2)=NC=C1

IUPAC: N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide

InChI: InChI=1S/C24H22ClN5O/c1-14-7-23(26)30-15(2)21(14)13-29-24(31)17-5-6-27-20(11-17)9-16-3-4-22-18(8-16)10-19(25)12-28-22/h3-8,10-12H,9,13H2,1-2H3,(H2,26,30)(H,29,31)

Composition: C (66.74%), H (5.13%), Cl (8.21%), N (16.21%), O (3.70%)

Molar Mass: 431.92

Atom Count: 53

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	431.151288
Formal Charge	0
FSP3	0.17
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	BDLURRLRBKLEDL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	123.02
Topological Polar Surface Area	93.79
Polarizability	47.31
Ring Count	4
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	1801253-04-2		$37.46-$688.72$37.46$54.27$89.43$174.28$282.06$456.35$688.72