2-(3-fluoro-4-pyridinyl)-N-propan-2-ylpyridine-4-carboxamide

C14H14FN3O — CID 74244345

IUPAC2-(3-fluoro-4-pyridinyl)-N-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)NC(=O)c1ccnc(-c2ccncc2F)c1
InChIInChI=1S/C14H14FN3O/c1-9(2)18-14(19)10-3-6-17-13(7-10)11-4-5-16-8-12(11)15/h3-9H,1-2H3,(H,18,19)
InChIKeySQJSAIMPCYHZDV-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.42
Rot. Bonds3

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

2-(3-fluoro-4-pyridinyl)-N-propan-2-ylpyridine-4-carboxamide (PubChem CID 74244345) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-(3-fluoro-4-pyridinyl)-N-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-fluoro-4-pyridinyl)-N-propan-2-ylpyridine-4-carboxamide
PubChem CID74244345
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name2-(3-fluoro-4-pyridinyl)-N-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)NC(=O)c1ccnc(-c2ccncc2F)c1
InChIInChI=1S/C14H14FN3O/c1-9(2)18-14(19)10-3-6-17-13(7-10)11-4-5-16-8-12(11)15/h3-9H,1-2H3,(H,18,19)
InChIKeySQJSAIMPCYHZDV-UHFFFAOYSA-N
XLogP2.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-2-pyridazin-4-ylpyridine-4-carboxamide
CID 155914034
2-(3-fluoro-5-methylphenyl)-N-propan-2-ylpyridine-4-carboxamide
CID 77078874
4-(18F)fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 172512860
2-N,4-N-di(propan-2-yl)pyridine-2,4-dicarboxamide
CID 109078008
N-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 17197451
2-cyano-N-propan-2-ylpyridine-4-carboxamide
CID 112520008
2-(3-methoxy-4-pyridinyl)pyridine-4-carboxylic acid
CID 139447771
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
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]propanoate
CID 61499841
3-N-(3,4-difluorophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101520

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-pyridinyl)-N-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-(3-fluoro-4-pyridinyl)-N-propan-2-ylpyridine-4-carboxamide (CID 74244345) is 2-(3-fluoro-4-pyridinyl)-N-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-(3-fluoro-4-pyridinyl)-N-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-(3-fluoro-4-pyridinyl)-N-propan-2-ylpyridine-4-carboxamide is CC(C)NC(=O)c1ccnc(-c2ccncc2F)c1.
What is the InChIKey of 2-(3-fluoro-4-pyridinyl)-N-propan-2-ylpyridine-4-carboxamide?
The InChIKey is SQJSAIMPCYHZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-9(2)18-14(19)10-3-6-17-13(7-10)11-4-5-16-8-12(11)15/h3-9H,1-2H3,(H,18,19).
What are the key properties of 2-(3-fluoro-4-pyridinyl)-N-propan-2-ylpyridine-4-carboxamide?
2-(3-fluoro-4-pyridinyl)-N-propan-2-ylpyridine-4-carboxamide has a molecular weight of 259.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-pyridinyl)-N-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 74244345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).