N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-3-carboxamide

C15H17N3O — CID 54939157

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccccc1CN)C(=O)c1cccnc1
InChIInChI=1S/C15H17N3O/c1-18(15(19)13-7-4-8-17-10-13)11-14-6-3-2-5-12(14)9-16/h2-8,10H,9,11,16H2,1H3
InChIKeyREKOAKJZGUWZBF-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.81
Rot. Bonds4

About N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-3-carboxamide

N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-3-carboxamide (PubChem CID 54939157) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-3-carboxamide
PubChem CID54939157
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccccc1CN)C(=O)c1cccnc1
InChIInChI=1S/C15H17N3O/c1-18(15(19)13-7-4-8-17-10-13)11-14-6-3-2-5-12(14)9-16/h2-8,10H,9,11,16H2,1H3
InChIKeyREKOAKJZGUWZBF-UHFFFAOYSA-N
XLogP1.81
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylbenzamide
CID 60923258
N-(chloromethyl)-N-methylpyridine-3-carboxamide
CID 141227221
N-[[2-(aminomethyl)phenyl]methyl]-3,5-difluoro-N-methylbenzamide
CID 60922714
N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-2-carboxamide
CID 54939155
N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 79290970
N-[[2-(aminomethyl)phenyl]methyl]-N-methylfuran-3-carboxamide
CID 54939111
N-[[2-(aminomethyl)phenyl]methyl]-3,4-difluoro-N-methylbenzamide
CID 60922987
N-[2,2-dimethyl-3-[methyl(pyridine-3-carbonyl)amino]propyl]-N-methylpyridine-3-carboxamide
CID 166390474
N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 86975589
N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 84512305
N-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-3-carboxamide
CID 78792336
N,N-dimethylpyridine-3-carboxamide;ethane
CID 142562125

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-3-carboxamide (CID 54939157) is N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-3-carboxamide is CN(Cc1ccccc1CN)C(=O)c1cccnc1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is REKOAKJZGUWZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-18(15(19)13-7-4-8-17-10-13)11-14-6-3-2-5-12(14)9-16/h2-8,10H,9,11,16H2,1H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-3-carboxamide?
N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 54939157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).