2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide

C13H21N3O — CID 114325623

IUPAC2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide
SMILESCCC(C)CN(C)C(=O)c1ccnc(CN)c1
InChIInChI=1S/C13H21N3O/c1-4-10(2)9-16(3)13(17)11-5-6-15-12(7-11)8-14/h5-7,10H,4,8-9,14H2,1-3H3
InChIKeyXKBPLQSKCZQUBW-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.66
Rot. Bonds5

About 2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide

2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide (PubChem CID 114325623) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide
PubChem CID114325623
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide
SMILESCCC(C)CN(C)C(=O)c1ccnc(CN)c1
InChIInChI=1S/C13H21N3O/c1-4-10(2)9-16(3)13(17)11-5-6-15-12(7-11)8-14/h5-7,10H,4,8-9,14H2,1-3H3
InChIKeyXKBPLQSKCZQUBW-UHFFFAOYSA-N
XLogP1.66
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl(2-methylbutyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055655
2-(aminomethyl)-N,N-dipropylpyridine-4-carboxamide
CID 113277709
2-[[2-(aminomethyl)pyridine-4-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 114326521
2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 114325571
2-(aminomethyl)-N-methoxy-N-methylpyridine-4-carboxamide
CID 114326324
2-(aminomethyl)-N-methyl-N-[3-(methylamino)propyl]pyridine-4-carboxamide
CID 114326834
2-(aminomethyl)-N-(cyclopentylmethyl)-N-methylpyridine-4-carboxamide
CID 114326567
3-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzamide
CID 43437024
3-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 43295327
4-hydrazinyl-N-methyl-N-(2-methylbutyl)pyridine-2-carboxamide
CID 62242835
2-(aminomethyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide
CID 114325943
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 114325937

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide (CID 114325623) is 2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide is CCC(C)CN(C)C(=O)c1ccnc(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide?
The InChIKey is XKBPLQSKCZQUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-10(2)9-16(3)13(17)11-5-6-15-12(7-11)8-14/h5-7,10H,4,8-9,14H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide?
2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide is sourced from PubChem (CID 114325623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).