N-(3-chloro-4-methylphenyl)-4-(4-cyanoanilino)pyridine-2-carboxamide

C20H15ClN4O — CID 109221263

IUPACN-(3-chloro-4-methylphenyl)-4-(4-cyanoanilino)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Nc3ccc(C#N)cc3)ccn2)cc1Cl
InChIInChI=1S/C20H15ClN4O/c1-13-2-5-16(10-18(13)21)25-20(26)19-11-17(8-9-23-19)24-15-6-3-14(12-22)4-7-15/h2-11H,1H3,(H,23,24)(H,25,26)
InChIKeyHKSHCOWKCOBLFI-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.91
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-4-(4-cyanoanilino)pyridine-2-carboxamide

N-(3-chloro-4-methylphenyl)-4-(4-cyanoanilino)pyridine-2-carboxamide (PubChem CID 109221263) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-(4-cyanoanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-(4-cyanoanilino)pyridine-2-carboxamide
PubChem CID109221263
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC NameN-(3-chloro-4-methylphenyl)-4-(4-cyanoanilino)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Nc3ccc(C#N)cc3)ccn2)cc1Cl
InChIInChI=1S/C20H15ClN4O/c1-13-2-5-16(10-18(13)21)25-20(26)19-11-17(8-9-23-19)24-15-6-3-14(12-22)4-7-15/h2-11H,1H3,(H,23,24)(H,25,26)
InChIKeyHKSHCOWKCOBLFI-UHFFFAOYSA-N
XLogP4.91
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109222713
4-anilino-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109218921
methyl 4-[[2-[(3-chloro-4-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109221255
4-(4-cyanoanilino)-N-(2,3-dichlorophenyl)pyridine-2-carboxamide
CID 109222661
4-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109222360
4-N-(3-chloro-4-methylphenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050028
N-(4-cyanophenyl)-4-(2,3-dimethylanilino)pyridine-2-carboxamide
CID 109220123
4-(3-chloro-4-methylanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109221266
N-(4-cyanophenyl)-4-(2,5-dichloroanilino)pyridine-2-carboxamide
CID 109222641
4-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109221390
2-(3-chloro-4-methylanilino)-N-(4-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337316
4-(2-chloro-4,6-dimethylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109221354

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-(4-cyanoanilino)pyridine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-(4-cyanoanilino)pyridine-2-carboxamide (CID 109221263) is N-(3-chloro-4-methylphenyl)-4-(4-cyanoanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-(4-cyanoanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-(4-cyanoanilino)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cc(Nc3ccc(C#N)cc3)ccn2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-(4-cyanoanilino)pyridine-2-carboxamide?
The InChIKey is HKSHCOWKCOBLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O/c1-13-2-5-16(10-18(13)21)25-20(26)19-11-17(8-9-23-19)24-15-6-3-14(12-22)4-7-15/h2-11H,1H3,(H,23,24)(H,25,26).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-(4-cyanoanilino)pyridine-2-carboxamide?
N-(3-chloro-4-methylphenyl)-4-(4-cyanoanilino)pyridine-2-carboxamide has a molecular weight of 362.82 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-(4-cyanoanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109221263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).