N-(4-chloro-2-methylphenyl)-5-(4-cyanoanilino)pyridine-2-carboxamide

C20H15ClN4O — CID 109199438

IUPACN-(4-chloro-2-methylphenyl)-5-(4-cyanoanilino)pyridine-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(Nc2ccc(C#N)cc2)cn1
InChIInChI=1S/C20H15ClN4O/c1-13-10-15(21)4-8-18(13)25-20(26)19-9-7-17(12-23-19)24-16-5-2-14(11-22)3-6-16/h2-10,12,24H,1H3,(H,25,26)
InChIKeyXRBRPTRCVQXBIR-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.91
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-5-(4-cyanoanilino)pyridine-2-carboxamide

N-(4-chloro-2-methylphenyl)-5-(4-cyanoanilino)pyridine-2-carboxamide (PubChem CID 109199438) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-5-(4-cyanoanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-5-(4-cyanoanilino)pyridine-2-carboxamide
PubChem CID109199438
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC NameN-(4-chloro-2-methylphenyl)-5-(4-cyanoanilino)pyridine-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(Nc2ccc(C#N)cc2)cn1
InChIInChI=1S/C20H15ClN4O/c1-13-10-15(21)4-8-18(13)25-20(26)19-9-7-17(12-23-19)24-16-5-2-14(11-22)3-6-16/h2-10,12,24H,1H3,(H,25,26)
InChIKeyXRBRPTRCVQXBIR-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

N-(4-chloro-2-methylphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358471
methyl 4-[[6-[(4-chloro-2-methylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199430
N-(4-chloro-2-methylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide
CID 109177662
4-N-(4-chloro-2-methylphenyl)-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092935
2-N-(4-chloro-2-methylphenyl)-4-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092943
5-(3-chloroanilino)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109199236
5-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109195211
5-(4-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109200223
6-(4-chloro-2-methylanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850278
5-(4-cyanoanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109199006
N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181316
5-cyano-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide
CID 63716731

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-5-(4-cyanoanilino)pyridine-2-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-5-(4-cyanoanilino)pyridine-2-carboxamide (CID 109199438) is N-(4-chloro-2-methylphenyl)-5-(4-cyanoanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-5-(4-cyanoanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-5-(4-cyanoanilino)pyridine-2-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1ccc(Nc2ccc(C#N)cc2)cn1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-5-(4-cyanoanilino)pyridine-2-carboxamide?
The InChIKey is XRBRPTRCVQXBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O/c1-13-10-15(21)4-8-18(13)25-20(26)19-9-7-17(12-23-19)24-16-5-2-14(11-22)3-6-16/h2-10,12,24H,1H3,(H,25,26).
What are the key properties of N-(4-chloro-2-methylphenyl)-5-(4-cyanoanilino)pyridine-2-carboxamide?
N-(4-chloro-2-methylphenyl)-5-(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-(4-chloro-2-methylphenyl)-5-(4-cyanoanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109199438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).