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

C20H15ClN4O — CID 109221213

IUPACN-(4-chloro-2-methylphenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cc(Nc2ccccc2C#N)ccn1
InChIInChI=1S/C20H15ClN4O/c1-13-10-15(21)6-7-17(13)25-20(26)19-11-16(8-9-23-19)24-18-5-3-2-4-14(18)12-22/h2-11H,1H3,(H,23,24)(H,25,26)
InChIKeyJUBHBFGLZPVDSQ-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.91
Rot. Bonds4

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

N-(4-chloro-2-methylphenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide (PubChem CID 109221213) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide
PubChem CID109221213
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC NameN-(4-chloro-2-methylphenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cc(Nc2ccccc2C#N)ccn1
InChIInChI=1S/C20H15ClN4O/c1-13-10-15(21)6-7-17(13)25-20(26)19-11-16(8-9-23-19)24-18-5-3-2-4-14(18)12-22/h2-11H,1H3,(H,23,24)(H,25,26)
InChIKeyJUBHBFGLZPVDSQ-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-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109221189
4-(2-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109222697
4-(2-cyanoanilino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109219824
4-(2-cyanoanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109222708
4-(2-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219127
4-(2-cyanoanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109219956
N-(4-chloro-2-methylphenyl)-4-(2-methoxyanilino)pyridine-2-carboxamide
CID 109221193
4-(4-chloro-2-methylanilino)-N-phenylpyridine-2-carboxamide
CID 109218765
N-(4-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-5-carboxamide
CID 109269101
N-(2-cyanophenyl)-4-(2-ethylanilino)pyridine-2-carboxamide
CID 109220187
N-(2-cyanophenyl)-4-(2,3-dichloroanilino)pyridine-2-carboxamide
CID 109222663
4-(2-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221872

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide (CID 109221213) is N-(4-chloro-2-methylphenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1cc(Nc2ccccc2C#N)ccn1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide?
The InChIKey is JUBHBFGLZPVDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O/c1-13-10-15(21)6-7-17(13)25-20(26)19-11-16(8-9-23-19)24-18-5-3-2-4-14(18)12-22/h2-11H,1H3,(H,23,24)(H,25,26).
What are the key properties of N-(4-chloro-2-methylphenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide?
N-(4-chloro-2-methylphenyl)-4-(2-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)-4-(2-cyanoanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109221213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).