4-(2-chloro-4,6-dimethylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide

C21H17ClN4O — CID 109221354

IUPAC4-(2-chloro-4,6-dimethylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
SMILESCc1cc(C)c(Nc2ccnc(C(=O)Nc3cccc(C#N)c3)c2)c(Cl)c1
InChIInChI=1S/C21H17ClN4O/c1-13-8-14(2)20(18(22)9-13)25-17-6-7-24-19(11-17)21(27)26-16-5-3-4-15(10-16)12-23/h3-11H,1-2H3,(H,24,25)(H,26,27)
InChIKeyQPMNSLCDZCEORN-UHFFFAOYSA-N
MW376.85 g/mol
LogP5.22
Rot. Bonds4

About 4-(2-chloro-4,6-dimethylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide

4-(2-chloro-4,6-dimethylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide (PubChem CID 109221354) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is 4-(2-chloro-4,6-dimethylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-chloro-4,6-dimethylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
PubChem CID109221354
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC Name4-(2-chloro-4,6-dimethylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
SMILESCc1cc(C)c(Nc2ccnc(C(=O)Nc3cccc(C#N)c3)c2)c(Cl)c1
InChIInChI=1S/C21H17ClN4O/c1-13-8-14(2)20(18(22)9-13)25-17-6-7-24-19(11-17)21(27)26-16-5-3-4-15(10-16)12-23/h3-11H,1-2H3,(H,24,25)(H,26,27)
InChIKeyQPMNSLCDZCEORN-UHFFFAOYSA-N
XLogP5.22
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.85
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4,6-dimethylanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109317385
N-(3-cyanophenyl)-4-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
CID 109220395
2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109316241
4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109222713
4-(3-cyanoanilino)-N-phenylpyridine-2-carboxamide
CID 109218825
4-(4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109222674
4-(3-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 109221343
4-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109221390
methyl 4-[[2-[(3-cyanophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109222315
4-(3-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109222335
N-(3-chloro-4-methylphenyl)-4-(4-cyanoanilino)pyridine-2-carboxamide
CID 109221263
2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 109177129

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4,6-dimethylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(2-chloro-4,6-dimethylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide (CID 109221354) is 4-(2-chloro-4,6-dimethylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-chloro-4,6-dimethylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2-chloro-4,6-dimethylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide is Cc1cc(C)c(Nc2ccnc(C(=O)Nc3cccc(C#N)c3)c2)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4,6-dimethylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide?
The InChIKey is QPMNSLCDZCEORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c1-13-8-14(2)20(18(22)9-13)25-17-6-7-24-19(11-17)21(27)26-16-5-3-4-15(10-16)12-23/h3-11H,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 4-(2-chloro-4,6-dimethylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide?
4-(2-chloro-4,6-dimethylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide has a molecular weight of 376.85 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4,6-dimethylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109221354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).