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N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide

N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide

CAS: 152459-94-4

Formula: C23H19N5O

SMILES: CC1=CC=C(NC(=O)C2=CC=CC=C2)C=C1NC1=NC=CC(=N1)C1=CC=CN=C1

IUPAC: N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide

InChI: InChI=1S/C23H19N5O/c1-16-9-10-19(26-22(29)17-6-3-2-4-7-17)14-21(16)28-23-25-13-11-20(27-23)18-8-5-12-24-15-18/h2-15H,1H3,(H,26,29)(H,25,27,28)

Composition: C (72.42%), H (5.02%), N (18.36%), O (4.19%)

Molar Mass: 381.439

Atom Count: 48

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 381.158960252
Formal Charge 0
FSP3 0.04
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey UOEJSOXEHKCNAE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 114.34
Topological Polar Surface Area 79.8
Polarizability 43.73
Ring Count 4
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 152459-94-4 $22.70-$104.66$22.70$54.22$104.66
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