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

C14H14FN3O — CID 63723051

IUPAC5-(aminomethyl)-N-(4-fluorophenyl)-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(CN)cn1)c1ccc(F)cc1
InChIInChI=1S/C14H14FN3O/c1-18(12-5-3-11(15)4-6-12)14(19)13-7-2-10(8-16)9-17-13/h2-7,9H,8,16H2,1H3
InChIKeyFDEHQZYJPCFHRH-UHFFFAOYSA-N
MW259.28 g/mol
LogP1.96
Rot. Bonds3

About 5-(aminomethyl)-N-(4-fluorophenyl)-N-methylpyridine-2-carboxamide

5-(aminomethyl)-N-(4-fluorophenyl)-N-methylpyridine-2-carboxamide (PubChem CID 63723051) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4-fluorophenyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4-fluorophenyl)-N-methylpyridine-2-carboxamide
PubChem CID63723051
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name5-(aminomethyl)-N-(4-fluorophenyl)-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(CN)cn1)c1ccc(F)cc1
InChIInChI=1S/C14H14FN3O/c1-18(12-5-3-11(15)4-6-12)14(19)13-7-2-10(8-16)9-17-13/h2-7,9H,8,16H2,1H3
InChIKeyFDEHQZYJPCFHRH-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

5-(aminomethyl)-N-methyl-N-(2-methylphenyl)pyridine-2-carboxamide
CID 63723383
N-[4-(aminomethyl)phenyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide
CID 104637940
N-[4-(aminomethyl)phenyl]-5-fluoro-N-propylpyridine-2-carboxamide
CID 104637938
5-(aminomethyl)-N-(2,4-dimethylphenyl)-N-methylpyridine-2-carboxamide
CID 63723381
5-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylpyridine-2-carboxamide
CID 63724556
2-(aminomethyl)-N-(4-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66376521
5-(aminomethyl)-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
CID 55229435
5-(aminomethyl)-N,N-dipropylpyridine-2-carboxamide
CID 55229815
5-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81316642
6-[(4-ethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 62004228
5-(aminomethyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 63723539
N-(1-aminopropan-2-yl)-5-fluoro-N-methylpyridine-2-carboxamide
CID 104643248

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4-fluorophenyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(4-fluorophenyl)-N-methylpyridine-2-carboxamide (CID 63723051) is 5-(aminomethyl)-N-(4-fluorophenyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(4-fluorophenyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(4-fluorophenyl)-N-methylpyridine-2-carboxamide is CN(C(=O)c1ccc(CN)cn1)c1ccc(F)cc1.
What is the InChIKey of 5-(aminomethyl)-N-(4-fluorophenyl)-N-methylpyridine-2-carboxamide?
The InChIKey is FDEHQZYJPCFHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-18(12-5-3-11(15)4-6-12)14(19)13-7-2-10(8-16)9-17-13/h2-7,9H,8,16H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(4-fluorophenyl)-N-methylpyridine-2-carboxamide?
5-(aminomethyl)-N-(4-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 5-(aminomethyl)-N-(4-fluorophenyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 63723051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).