3-fluoro-N-[2-(methylaminomethyl)phenyl]pyridine-4-carboxamide

C14H14FN3O — CID 64951287

IUPAC3-fluoro-N-[2-(methylaminomethyl)phenyl]pyridine-4-carboxamide
SMILESCNCc1ccccc1NC(=O)c1ccncc1F
InChIInChI=1S/C14H14FN3O/c1-16-8-10-4-2-3-5-13(10)18-14(19)11-6-7-17-9-12(11)15/h2-7,9,16H,8H2,1H3,(H,18,19)
InChIKeyDRNKPELDAWENBR-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.19
Rot. Bonds4

About 3-fluoro-N-[2-(methylaminomethyl)phenyl]pyridine-4-carboxamide

3-fluoro-N-[2-(methylaminomethyl)phenyl]pyridine-4-carboxamide (PubChem CID 64951287) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 3-fluoro-N-[2-(methylaminomethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(methylaminomethyl)phenyl]pyridine-4-carboxamide
PubChem CID64951287
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name3-fluoro-N-[2-(methylaminomethyl)phenyl]pyridine-4-carboxamide
SMILESCNCc1ccccc1NC(=O)c1ccncc1F
InChIInChI=1S/C14H14FN3O/c1-16-8-10-4-2-3-5-13(10)18-14(19)11-6-7-17-9-12(11)15/h2-7,9,16H,8H2,1H3,(H,18,19)
InChIKeyDRNKPELDAWENBR-UHFFFAOYSA-N
XLogP2.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 64950888
2-fluoro-4-hydroxy-N-[2-(methylaminomethyl)phenyl]benzamide
CID 107677077
2,3,4-trifluoro-N-[2-(methylaminomethyl)phenyl]benzamide
CID 79755148
N-(2-ethylsulfanylphenyl)-3-fluoropyridine-4-carboxamide
CID 115645997
3-fluoro-N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide
CID 77054716
3-fluoro-N-(2-propoxyphenyl)pyridine-4-carboxamide
CID 115645463
3-chloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 66462437
N-[(2-bromophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 64949510
3-fluoro-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide
CID 64949324
4-fluoro-3-methyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 63213814
3-fluoro-N-[2-(triazol-1-yl)phenyl]pyridine-4-carboxamide
CID 115645903
3-fluoro-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide
CID 115645633

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(methylaminomethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[2-(methylaminomethyl)phenyl]pyridine-4-carboxamide (CID 64951287) is 3-fluoro-N-[2-(methylaminomethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[2-(methylaminomethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[2-(methylaminomethyl)phenyl]pyridine-4-carboxamide is CNCc1ccccc1NC(=O)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-[2-(methylaminomethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is DRNKPELDAWENBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-16-8-10-4-2-3-5-13(10)18-14(19)11-6-7-17-9-12(11)15/h2-7,9,16H,8H2,1H3,(H,18,19).
What are the key properties of 3-fluoro-N-[2-(methylaminomethyl)phenyl]pyridine-4-carboxamide?
3-fluoro-N-[2-(methylaminomethyl)phenyl]pyridine-4-carboxamide has a molecular weight of 259.28 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(methylaminomethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 64951287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).