4-(4-chloro-2-methylanilino)-N-phenylpyridine-2-carboxamide

C19H16ClN3O — CID 109218765

IUPAC4-(4-chloro-2-methylanilino)-N-phenylpyridine-2-carboxamide
SMILESCc1cc(Cl)ccc1Nc1ccnc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C19H16ClN3O/c1-13-11-14(20)7-8-17(13)22-16-9-10-21-18(12-16)19(24)23-15-5-3-2-4-6-15/h2-12H,1H3,(H,21,22)(H,23,24)
InChIKeyPOLIGIDGTWQEPN-UHFFFAOYSA-N
MW337.81 g/mol
LogP5.04
Rot. Bonds4

About 4-(4-chloro-2-methylanilino)-N-phenylpyridine-2-carboxamide

4-(4-chloro-2-methylanilino)-N-phenylpyridine-2-carboxamide (PubChem CID 109218765) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is 4-(4-chloro-2-methylanilino)-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-2-methylanilino)-N-phenylpyridine-2-carboxamide
PubChem CID109218765
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name4-(4-chloro-2-methylanilino)-N-phenylpyridine-2-carboxamide
SMILESCc1cc(Cl)ccc1Nc1ccnc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C19H16ClN3O/c1-13-11-14(20)7-8-17(13)22-16-9-10-21-18(12-16)19(24)23-15-5-3-2-4-6-15/h2-12H,1H3,(H,21,22)(H,23,24)
InChIKeyPOLIGIDGTWQEPN-UHFFFAOYSA-N
XLogP5.04
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.81
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-4-(2-methoxyanilino)pyridine-2-carboxamide
CID 109221193
N-(4-chloro-2-methylphenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide
CID 109221213
4-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213313
4-(4-chloro-2-methylanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109204837
N-(3,4-dimethylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109219004
4-(4-methylanilino)-N-phenylpyridine-2-carboxamide
CID 109218739
4-(4-chloro-2-methylanilino)-N,N-diethylpyridine-2-carboxamide
CID 109216419
N-(4-acetylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109219035
methyl 3-[[4-(2,4-dimethylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109219781
4-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219072
methyl 2-[[2-[(4-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109221037
N-phenyl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109218754

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylanilino)-N-phenylpyridine-2-carboxamide?
The IUPAC name of 4-(4-chloro-2-methylanilino)-N-phenylpyridine-2-carboxamide (CID 109218765) is 4-(4-chloro-2-methylanilino)-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 4-(4-chloro-2-methylanilino)-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 4-(4-chloro-2-methylanilino)-N-phenylpyridine-2-carboxamide is Cc1cc(Cl)ccc1Nc1ccnc(C(=O)Nc2ccccc2)c1.
What is the InChIKey of 4-(4-chloro-2-methylanilino)-N-phenylpyridine-2-carboxamide?
The InChIKey is POLIGIDGTWQEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c1-13-11-14(20)7-8-17(13)22-16-9-10-21-18(12-16)19(24)23-15-5-3-2-4-6-15/h2-12H,1H3,(H,21,22)(H,23,24).
What are the key properties of 4-(4-chloro-2-methylanilino)-N-phenylpyridine-2-carboxamide?
4-(4-chloro-2-methylanilino)-N-phenylpyridine-2-carboxamide has a molecular weight of 337.81 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylanilino)-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 109218765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).