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

C19H16FN3O — CID 23632400

IUPAC2-(3-fluoroanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnc2Nc2cccc(F)c2)cc1
InChIInChI=1S/C19H16FN3O/c1-13-7-9-15(10-8-13)23-19(24)17-6-3-11-21-18(17)22-16-5-2-4-14(20)12-16/h2-12H,1H3,(H,21,22)(H,23,24)
InChIKeyMUXRFLRMZIKUFK-UHFFFAOYSA-N
MW321.36 g/mol
LogP4.53
Rot. Bonds4

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

2-(3-fluoroanilino)-N-(4-methylphenyl)pyridine-3-carboxamide (PubChem CID 23632400) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-N-(4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-fluoroanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
PubChem CID23632400
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name2-(3-fluoroanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnc2Nc2cccc(F)c2)cc1
InChIInChI=1S/C19H16FN3O/c1-13-7-9-15(10-8-13)23-19(24)17-6-3-11-21-18(17)22-16-5-2-4-14(20)12-16/h2-12H,1H3,(H,21,22)(H,23,24)
InChIKeyMUXRFLRMZIKUFK-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

N-(3-fluorophenyl)-2-(4-methylanilino)pyridine-3-carboxamide
CID 23632549
2-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23632674
N-(4-bromophenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 23632618
2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632392
2-(3-fluoroanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632897
2-(3-fluoroanilino)-N-methoxypyridine-3-carboxamide
CID 47246328
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 86898718
N-[3-[(dimethylamino)methyl]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 51119906
N-(4-cyclopentylsulfanylphenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 60509420
2-(3-bromoanilino)-N-(4-bromophenyl)pyridine-3-carboxamide
CID 23632626
N-(3-chlorophenyl)-2-(4-fluoroanilino)pyridine-3-carboxamide
CID 23632835
N-(2,6-dimethylphenyl)-2-(3-methylanilino)pyridine-3-carboxamide
CID 23633002

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-N-(4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-(3-fluoroanilino)-N-(4-methylphenyl)pyridine-3-carboxamide (CID 23632400) is 2-(3-fluoroanilino)-N-(4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(3-fluoroanilino)-N-(4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(3-fluoroanilino)-N-(4-methylphenyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cccnc2Nc2cccc(F)c2)cc1.
What is the InChIKey of 2-(3-fluoroanilino)-N-(4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is MUXRFLRMZIKUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c1-13-7-9-15(10-8-13)23-19(24)17-6-3-11-21-18(17)22-16-5-2-4-14(20)12-16/h2-12H,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-(3-fluoroanilino)-N-(4-methylphenyl)pyridine-3-carboxamide?
2-(3-fluoroanilino)-N-(4-methylphenyl)pyridine-3-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 2-(3-fluoroanilino)-N-(4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 23632400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).