2-amino-5-cyano-N,3-dimethylbenzamide

2-amino-5-cyano-N,3-dimethylbenzamide

CAS: 890707-29-6

Formula: C10H11N3O

SMILES: CNC(=O)C1=C(N)C(C)=CC(=C1)C#N

IUPAC: 2-amino-5-cyano-N,3-dimethylbenzamide

InChI: InChI=1S/C10H11N3O/c1-6-3-7(5-11)4-8(9(6)12)10(14)13-2/h3-4H,12H2,1-2H3,(H,13,14)

Composition: C (63.48%), H (5.86%), N (22.21%), O (8.46%)

Molar Mass: 189.218

Atom Count: 25

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	189.090211986
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	UOCPQZOXOQZEGV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.5
Topological Polar Surface Area	78.91
Polarizability	19.74
Ring Count	1
Rotatable Bond Count	1

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