N-(3-chlorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide

C19H16ClN3O — CID 109197509

IUPACN-(3-chlorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)Nc3cccc(Cl)c3)nc2)cc1
InChIInChI=1S/C19H16ClN3O/c1-13-5-7-15(8-6-13)22-17-9-10-18(21-12-17)19(24)23-16-4-2-3-14(20)11-16/h2-12,22H,1H3,(H,23,24)
InChIKeyXPVRWFPLQGRMTE-UHFFFAOYSA-N
MW337.81 g/mol
LogP5.04
Rot. Bonds4

About N-(3-chlorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide

N-(3-chlorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide (PubChem CID 109197509) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide
PubChem CID109197509
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC NameN-(3-chlorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)Nc3cccc(Cl)c3)nc2)cc1
InChIInChI=1S/C19H16ClN3O/c1-13-5-7-15(8-6-13)22-17-9-10-18(21-12-17)19(24)23-16-4-2-3-14(20)11-16/h2-12,22H,1H3,(H,23,24)
InChIKeyXPVRWFPLQGRMTE-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

methyl 4-[[6-[(3-chlorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199182
N-(3-chloro-4-fluorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide
CID 109197511
N-(3-chloro-4-fluorophenyl)-5-(3-methylanilino)pyridine-2-carboxamide
CID 109197376
5-(3-chloro-4-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109197308
5-(3-chloroanilino)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109199236
N-(3-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109197325
N-(3-chlorophenyl)-5-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109199191
methyl 3-[[5-(4-chloroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109199300
5-(3,5-dimethylanilino)-N-phenylpyridine-2-carboxamide
CID 109196969
5-anilino-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 109197085
5-(3-acetamidoanilino)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 109199474
5-(3-chloroanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181120

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide (CID 109197509) is N-(3-chlorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide is Cc1ccc(Nc2ccc(C(=O)Nc3cccc(Cl)c3)nc2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide?
The InChIKey is XPVRWFPLQGRMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c1-13-5-7-15(8-6-13)22-17-9-10-18(21-12-17)19(24)23-16-4-2-3-14(20)11-16/h2-12,22H,1H3,(H,23,24).
What are the key properties of N-(3-chlorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide?
N-(3-chlorophenyl)-5-(4-methylanilino)pyridine-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 N-(3-chlorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109197509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).