4-(aminomethyl)-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide

C14H14FN3O — CID 115116999

IUPAC4-(aminomethyl)-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1cc(CN)ccn1)c1cccc(F)c1
InChIInChI=1S/C14H14FN3O/c1-18(12-4-2-3-11(15)8-12)14(19)13-7-10(9-16)5-6-17-13/h2-8H,9,16H2,1H3
InChIKeyNDGKQDMJKRZAMU-UHFFFAOYSA-N
MW259.28 g/mol
LogP1.96
Rot. Bonds3

About 4-(aminomethyl)-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide

4-(aminomethyl)-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide (PubChem CID 115116999) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide
PubChem CID115116999
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name4-(aminomethyl)-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1cc(CN)ccn1)c1cccc(F)c1
InChIInChI=1S/C14H14FN3O/c1-18(12-4-2-3-11(15)8-12)14(19)13-7-10(9-16)5-6-17-13/h2-8H,9,16H2,1H3
InChIKeyNDGKQDMJKRZAMU-UHFFFAOYSA-N
XLogP1.96
TPSA59.22 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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62248954
4-(aminomethyl)-N-methyl-N-(4-methylphenyl)pyridine-2-carboxamide
CID 115116983
4-cyano-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide
CID 115116825
4-(aminomethyl)-N-ethyl-N-methylpyridine-2-carboxamide
CID 115116977
2-(2-aminoethyl)-N-(3-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66390308
2-fluoro-N-(3-fluorophenyl)-N-methylpyridine-3-carboxamide
CID 114037685
4-[3-(aminomethyl)-N-methylanilino]pyridine-2-carboxamide
CID 62970299
6-chloro-N-(3-fluorophenyl)-N-methylpyrazine-2-carboxamide
CID 114035325
4-(aminomethyl)-N-(cyclohexylmethyl)-N-methylpyridine-2-carboxamide
CID 115117058
N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 55180371
4-(N-ethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109219349
5-(aminomethyl)-N-(4-fluorophenyl)-N-methylpyridine-2-carboxamide
CID 63723051

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide (CID 115116999) is 4-(aminomethyl)-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide is CN(C(=O)c1cc(CN)ccn1)c1cccc(F)c1.
What is the InChIKey of 4-(aminomethyl)-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide?
The InChIKey is NDGKQDMJKRZAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-18(12-4-2-3-11(15)8-12)14(19)13-7-10(9-16)5-6-17-13/h2-8H,9,16H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide?
4-(aminomethyl)-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide has a molecular weight of 259.28 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 115116999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).