2-(3-fluoro-5-methylphenyl)-N-propan-2-ylpyridine-4-carboxamide

C16H17FN2O — CID 77078874

IUPAC2-(3-fluoro-5-methylphenyl)-N-propan-2-ylpyridine-4-carboxamide
SMILESCc1cc(F)cc(-c2cc(C(=O)NC(C)C)ccn2)c1
InChIInChI=1S/C16H17FN2O/c1-10(2)19-16(20)12-4-5-18-15(9-12)13-6-11(3)7-14(17)8-13/h4-10H,1-3H3,(H,19,20)
InChIKeyXUPOTIKLQSXSHJ-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.33
Rot. Bonds3

About 2-(3-fluoro-5-methylphenyl)-N-propan-2-ylpyridine-4-carboxamide

2-(3-fluoro-5-methylphenyl)-N-propan-2-ylpyridine-4-carboxamide (PubChem CID 77078874) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-(3-fluoro-5-methylphenyl)-N-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-fluoro-5-methylphenyl)-N-propan-2-ylpyridine-4-carboxamide
PubChem CID77078874
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name2-(3-fluoro-5-methylphenyl)-N-propan-2-ylpyridine-4-carboxamide
SMILESCc1cc(F)cc(-c2cc(C(=O)NC(C)C)ccn2)c1
InChIInChI=1S/C16H17FN2O/c1-10(2)19-16(20)12-4-5-18-15(9-12)13-6-11(3)7-14(17)8-13/h4-10H,1-3H3,(H,19,20)
InChIKeyXUPOTIKLQSXSHJ-UHFFFAOYSA-N
XLogP3.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-yl-2-pyridazin-4-ylpyridine-4-carboxamide
CID 155914034
2-(3-fluoro-4-pyridinyl)-N-propan-2-ylpyridine-4-carboxamide
CID 74244345
2-N,4-N-di(propan-2-yl)pyridine-2,4-dicarboxamide
CID 109078008
2-N-(3,5-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078108
2-N-(4-methylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078101
2-cyano-N-propan-2-ylpyridine-4-carboxamide
CID 112520008
2-fluoro-N-(3-hydroxybutan-2-yl)pyridine-4-carboxamide
CID 130993762
2-N-(2,4-difluorophenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078181
N-[(1S)-1-cyclohexylethyl]-2-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-pyridinyl]pyridine-4-carboxamide
CID 132516828
2-[[2-[4-(dicarboxymethylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]propanedioic acid
CID 102472215
2-[3-[(1,1,1-trifluoro-3-methylbutan-2-yl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 156608630
2-N-(2,4-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078105

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methylphenyl)-N-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-(3-fluoro-5-methylphenyl)-N-propan-2-ylpyridine-4-carboxamide (CID 77078874) is 2-(3-fluoro-5-methylphenyl)-N-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-(3-fluoro-5-methylphenyl)-N-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-(3-fluoro-5-methylphenyl)-N-propan-2-ylpyridine-4-carboxamide is Cc1cc(F)cc(-c2cc(C(=O)NC(C)C)ccn2)c1.
What is the InChIKey of 2-(3-fluoro-5-methylphenyl)-N-propan-2-ylpyridine-4-carboxamide?
The InChIKey is XUPOTIKLQSXSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-10(2)19-16(20)12-4-5-18-15(9-12)13-6-11(3)7-14(17)8-13/h4-10H,1-3H3,(H,19,20).
What are the key properties of 2-(3-fluoro-5-methylphenyl)-N-propan-2-ylpyridine-4-carboxamide?
2-(3-fluoro-5-methylphenyl)-N-propan-2-ylpyridine-4-carboxamide has a molecular weight of 272.32 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methylphenyl)-N-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 77078874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).