N-(1-amino-4-methylpentan-3-yl)-2,6-dimethylpyridine-3-carboxamide

C14H23N3O — CID 114178127

IUPACN-(1-amino-4-methylpentan-3-yl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(CCN)C(C)C)c(C)n1
InChIInChI=1S/C14H23N3O/c1-9(2)13(7-8-15)17-14(18)12-6-5-10(3)16-11(12)4/h5-6,9,13H,7-8,15H2,1-4H3,(H,17,18)
InChIKeyHZXCZMHSWCORQT-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.80
Rot. Bonds5

About N-(1-amino-4-methylpentan-3-yl)-2,6-dimethylpyridine-3-carboxamide

N-(1-amino-4-methylpentan-3-yl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 114178127) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-3-yl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-3-yl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID114178127
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(1-amino-4-methylpentan-3-yl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(CCN)C(C)C)c(C)n1
InChIInChI=1S/C14H23N3O/c1-9(2)13(7-8-15)17-14(18)12-6-5-10(3)16-11(12)4/h5-6,9,13H,7-8,15H2,1-4H3,(H,17,18)
InChIKeyHZXCZMHSWCORQT-UHFFFAOYSA-N
XLogP1.80
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-4-methylpentan-3-yl)-2,6-dimethylpyridine-3-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

N-[(2R)-1-aminopropan-2-yl]-2,6-dimethylpyridine-3-carboxamide
CID 104873122
N-(4-hydroxypentan-2-yl)-2,6-dimethylpyridine-3-carboxamide
CID 113376501
5-[(2,6-dimethylpyridine-3-carbonyl)amino]hexanoic acid
CID 82855283
N-(1-aminohexan-2-yl)-2,6-dimethylpyridine-3-carboxamide;dihydrochloride
CID 119667886
N-[1-(2-aminophenyl)ethyl]-2,6-dimethylpyridine-3-carboxamide
CID 62829021
N-(1-amino-3-methoxypropan-2-yl)-2,6-dimethylpyridine-3-carboxamide
CID 106180889
2,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102914586
N-(1-cyanoethyl)-2,6-dimethylpyridine-3-carboxamide
CID 55209186
N-(2-aminopropyl)-2,6-dimethylpyridine-3-carboxamide
CID 63731041
N-(1-amino-4-methylpentan-3-yl)-4-ethylbenzamide
CID 106356762
(2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 62828512
(2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]pentanedioic acid
CID 62828511

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-3-yl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(1-amino-4-methylpentan-3-yl)-2,6-dimethylpyridine-3-carboxamide (CID 114178127) is N-(1-amino-4-methylpentan-3-yl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-3-yl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(1-amino-4-methylpentan-3-yl)-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)NC(CCN)C(C)C)c(C)n1.
What is the InChIKey of N-(1-amino-4-methylpentan-3-yl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is HZXCZMHSWCORQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9(2)13(7-8-15)17-14(18)12-6-5-10(3)16-11(12)4/h5-6,9,13H,7-8,15H2,1-4H3,(H,17,18).
What are the key properties of N-(1-amino-4-methylpentan-3-yl)-2,6-dimethylpyridine-3-carboxamide?
N-(1-amino-4-methylpentan-3-yl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-3-yl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 114178127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).