N-[4-(aminomethyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide

C14H14FN3O — CID 64949854

IUPACN-[4-(aminomethyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1F)c1ccc(CN)cc1
InChIInChI=1S/C14H14FN3O/c1-18(11-4-2-10(8-16)3-5-11)14(19)12-6-7-17-9-13(12)15/h2-7,9H,8,16H2,1H3
InChIKeyJWKILJXIIJZRIE-UHFFFAOYSA-N
MW259.28 g/mol
LogP1.96
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide

N-[4-(aminomethyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide (PubChem CID 64949854) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide
PubChem CID64949854
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC NameN-[4-(aminomethyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1F)c1ccc(CN)cc1
InChIInChI=1S/C14H14FN3O/c1-18(11-4-2-10(8-16)3-5-11)14(19)12-6-7-17-9-13(12)15/h2-7,9H,8,16H2,1H3
InChIKeyJWKILJXIIJZRIE-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-(4-ethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 105066566
N-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 64949261
3-fluoro-N,N-dimethylpyridine-4-carboxamide
CID 64950687
3-fluoro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylpyridine-4-carboxamide
CID 77054805
3-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide
CID 66484340
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 79652581
N-[4-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide
CID 63209286
3-amino-N-methyl-N-(4-methylphenyl)pyridine-4-carboxamide
CID 105069166
3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 113240917
5-(aminomethyl)-N-(4-fluorophenyl)-N-methylpyridine-2-carboxamide
CID 63723051
N-[4-(aminomethyl)phenyl]-4-bromo-3-fluoro-N-methylbenzamide
CID 167871653
3-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 105069144

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide (CID 64949854) is N-[4-(aminomethyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide is CN(C(=O)c1ccncc1F)c1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide?
The InChIKey is JWKILJXIIJZRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-18(11-4-2-10(8-16)3-5-11)14(19)12-6-7-17-9-13(12)15/h2-7,9H,8,16H2,1H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide?
N-[4-(aminomethyl)phenyl]-3-fluoro-N-methylpyridine-4-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 N-[4-(aminomethyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 64949854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).