N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethylpyridine-4-carboxamide

C16H19N3O — CID 106752310

IUPACN-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethylpyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccc(CN)cc2)ccn1
InChIInChI=1S/C16H19N3O/c1-12-9-15(7-8-18-12)16(20)19(2)11-14-5-3-13(10-17)4-6-14/h3-9H,10-11,17H2,1-2H3
InChIKeyJDTOQPXAYRWEAC-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.12
Rot. Bonds4

About N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethylpyridine-4-carboxamide

N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethylpyridine-4-carboxamide (PubChem CID 106752310) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethylpyridine-4-carboxamide
PubChem CID106752310
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethylpyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccc(CN)cc2)ccn1
InChIInChI=1S/C16H19N3O/c1-12-9-15(7-8-18-12)16(20)19(2)11-14-5-3-13(10-17)4-6-14/h3-9H,10-11,17H2,1-2H3
InChIKeyJDTOQPXAYRWEAC-UHFFFAOYSA-N
XLogP2.12
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 114325571
2-(aminomethyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide
CID 114325943
N-methyl-2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 62170882
2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N-methylpyridine-4-carboxamide
CID 103752068
2-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 103753880
N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-carboxamide
CID 62243894
N-benzyl-2-iodo-N-methylpyridine-4-carboxamide
CID 141379773
4-[(4-chlorophenyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730122
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,2-dimethylpyridine-4-carboxamide
CID 106753000
N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 55046834
N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methylpyridine-4-carboxamide
CID 106752308
N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyridine-4-carboxamide
CID 106752314

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethylpyridine-4-carboxamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethylpyridine-4-carboxamide (CID 106752310) is N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethylpyridine-4-carboxamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethylpyridine-4-carboxamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethylpyridine-4-carboxamide is Cc1cc(C(=O)N(C)Cc2ccc(CN)cc2)ccn1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethylpyridine-4-carboxamide?
The InChIKey is JDTOQPXAYRWEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-9-15(7-8-18-12)16(20)19(2)11-14-5-3-13(10-17)4-6-14/h3-9H,10-11,17H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethylpyridine-4-carboxamide?
N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethylpyridine-4-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethylpyridine-4-carboxamide is sourced from PubChem (CID 106752310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).