4-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide

C19H16FN3O — CID 109219115

IUPAC4-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(Nc3cccc(F)c3)ccn2)c1
InChIInChI=1S/C19H16FN3O/c1-13-4-2-6-15(10-13)23-19(24)18-12-17(8-9-21-18)22-16-7-3-5-14(20)11-16/h2-12H,1H3,(H,21,22)(H,23,24)
InChIKeyIMQUWOFCONTNRO-UHFFFAOYSA-N
MW321.36 g/mol
LogP4.53
Rot. Bonds4

About 4-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide

4-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide (PubChem CID 109219115) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 4-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
PubChem CID109219115
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name4-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(Nc3cccc(F)c3)ccn2)c1
InChIInChI=1S/C19H16FN3O/c1-13-4-2-6-15(10-13)23-19(24)18-12-17(8-9-21-18)22-16-7-3-5-14(20)11-16/h2-12H,1H3,(H,21,22)(H,23,24)
InChIKeyIMQUWOFCONTNRO-UHFFFAOYSA-N
XLogP4.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(3-fluorophenyl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091177
4-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109222036
N-(3-fluorophenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109222426
N-(1,3-benzodioxol-5-yl)-4-(3-methylanilino)pyridine-2-carboxamide
CID 109219186
4-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219072
4-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
CID 109222452
4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219134
4-[2-(4-fluorophenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109214200
2-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23632674
4-(butylamino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109202744
4-(3-acetylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109220749
2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265542

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide (CID 109219115) is 4-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide is Cc1cccc(NC(=O)c2cc(Nc3cccc(F)c3)ccn2)c1.
What is the InChIKey of 4-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide?
The InChIKey is IMQUWOFCONTNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c1-13-4-2-6-15(10-13)23-19(24)18-12-17(8-9-21-18)22-16-7-3-5-14(20)11-16/h2-12H,1H3,(H,21,22)(H,23,24).
What are the key properties of 4-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide?
4-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide has a molecular weight of 321.36 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109219115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).