3-fluoro-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide

C15H14FN3O2 — CID 115645741

IUPAC3-fluoro-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)c2ccncc2F)cc1
InChIInChI=1S/C15H14FN3O2/c1-17-14(20)11-4-2-10(3-5-11)8-19-15(21)12-6-7-18-9-13(12)16/h2-7,9H,8H2,1H3,(H,17,20)(H,19,21)
InChIKeyZRYMATYTNCJVCW-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.51
Rot. Bonds4

About 3-fluoro-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide

3-fluoro-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 115645741) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 3-fluoro-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide
PubChem CID115645741
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name3-fluoro-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)c2ccncc2F)cc1
InChIInChI=1S/C15H14FN3O2/c1-17-14(20)11-4-2-10(3-5-11)8-19-15(21)12-6-7-18-9-13(12)16/h2-7,9H,8H2,1H3,(H,17,20)(H,19,21)
InChIKeyZRYMATYTNCJVCW-UHFFFAOYSA-N
XLogP1.51
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[(4-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 113241006
N-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81236247
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-fluoropyridine-4-carboxamide
CID 105062273
N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
CID 115646049
N-[(3-carbamothioylphenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 64949696
3-fluoro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
CID 104600458
3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-carboxamide
CID 105066572
3-fluoro-N-[2-(2-methylpropanoylamino)ethyl]pyridine-4-carboxamide
CID 115645511
N-[(2,5-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115646128
N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115645752
2-chloro-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide
CID 106686527
3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide
CID 103713431

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide (CID 115645741) is 3-fluoro-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide is CNC(=O)c1ccc(CNC(=O)c2ccncc2F)cc1.
What is the InChIKey of 3-fluoro-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is ZRYMATYTNCJVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-17-14(20)11-4-2-10(3-5-11)8-19-15(21)12-6-7-18-9-13(12)16/h2-7,9H,8H2,1H3,(H,17,20)(H,19,21).
What are the key properties of 3-fluoro-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide?
3-fluoro-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 287.29 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 115645741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).