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

C20H15ClN4O — CID 109177662

IUPACN-(4-chloro-2-methylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccnc(Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C20H15ClN4O/c1-13-10-16(21)4-7-18(13)25-20(26)15-8-9-23-19(11-15)24-17-5-2-14(12-22)3-6-17/h2-11H,1H3,(H,23,24)(H,25,26)
InChIKeyOGPVTQQGNBTZLI-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.91
Rot. Bonds4

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

N-(4-chloro-2-methylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide (PubChem CID 109177662) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide
PubChem CID109177662
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccnc(Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C20H15ClN4O/c1-13-10-16(21)4-7-18(13)25-20(26)15-8-9-23-19(11-15)24-17-5-2-14(12-22)3-6-17/h2-11H,1H3,(H,23,24)(H,25,26)
InChIKeyOGPVTQQGNBTZLI-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

2-(4-acetamidoanilino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide
CID 109177651
2-N-(4-chloro-2-methylphenyl)-4-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092943
4-N-(4-chloro-2-methylphenyl)-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092935
N-(4-chloro-2-methylphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358471
2-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109177682
2-(4-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 109177130
N-(4-chloro-2-methylphenyl)-5-(4-cyanoanilino)pyridine-2-carboxamide
CID 109199438
2-(1,3-benzodioxol-5-ylamino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide
CID 109177657
N-(3-acetylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide
CID 109178483
2-(3-cyanoanilino)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide
CID 109178943
2-(4-cyanoanilino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide
CID 109178333
2-(4-cyanoanilino)-N-(2,6-difluorophenyl)pyridine-4-carboxamide
CID 109179026

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide (CID 109177662) is N-(4-chloro-2-methylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1ccnc(Nc2ccc(C#N)cc2)c1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide?
The InChIKey is OGPVTQQGNBTZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O/c1-13-10-16(21)4-7-18(13)25-20(26)15-8-9-23-19(11-15)24-17-5-2-14(12-22)3-6-17/h2-11H,1H3,(H,23,24)(H,25,26).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide?
N-(4-chloro-2-methylphenyl)-2-(4-cyanoanilino)pyridine-4-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)-2-(4-cyanoanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109177662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).