N-(2-amino-2-ethylbutyl)-3-methylpyridine-2-carboxamide

C13H21N3O — CID 81483749

IUPACN-(2-amino-2-ethylbutyl)-3-methylpyridine-2-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1ncccc1C
InChIInChI=1S/C13H21N3O/c1-4-13(14,5-2)9-16-12(17)11-10(3)7-6-8-15-11/h6-8H,4-5,9,14H2,1-3H3,(H,16,17)
InChIKeyILRKALGVTIFJKX-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.64
Rot. Bonds5

About N-(2-amino-2-ethylbutyl)-3-methylpyridine-2-carboxamide

N-(2-amino-2-ethylbutyl)-3-methylpyridine-2-carboxamide (PubChem CID 81483749) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-methylpyridine-2-carboxamide
PubChem CID81483749
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(2-amino-2-ethylbutyl)-3-methylpyridine-2-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1ncccc1C
InChIInChI=1S/C13H21N3O/c1-4-13(14,5-2)9-16-12(17)11-10(3)7-6-8-15-11/h6-8H,4-5,9,14H2,1-3H3,(H,16,17)
InChIKeyILRKALGVTIFJKX-UHFFFAOYSA-N
XLogP1.64
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-3-methylpyridine-2-carboxamide
CID 104857933
N-(2-amino-2-ethylbutyl)quinoline-8-carboxamide;dihydrochloride
CID 119641919
N-(2-amino-2-ethylbutyl)-6-methylpyridine-3-carboxamide;dihydrochloride
CID 119641996
N-(2-amino-2-ethylbutyl)pyridine-4-carboxamide
CID 81482515
N-[(1-aminocyclohexyl)methyl]-3-methylpyridine-2-carboxamide
CID 119404249
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-3-methylpyridine-2-carboxamide
CID 76940182
N-(1-aminoethyl)-3-methylpyridine-2-carboxamide
CID 173067121
N-(2,2-dimethylbutyl)-3-hydroxypyridine-2-carboxamide
CID 103461999
N-(3-bromopropyl)-3-methylpyridine-2-carboxamide
CID 62338959
N-(2-amino-2-ethylbutyl)-3,4-dimethylbenzamide
CID 81484563
4-[[(3-methylpyridine-2-carbonyl)amino]methyl]benzoic acid
CID 62341325
methyl 2-hydroxy-3-[(3-methylpyridine-2-carbonyl)amino]propanoate
CID 113358708

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-methylpyridine-2-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-methylpyridine-2-carboxamide (CID 81483749) is N-(2-amino-2-ethylbutyl)-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-methylpyridine-2-carboxamide is CCC(N)(CC)CNC(=O)c1ncccc1C.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-methylpyridine-2-carboxamide?
The InChIKey is ILRKALGVTIFJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-13(14,5-2)9-16-12(17)11-10(3)7-6-8-15-11/h6-8H,4-5,9,14H2,1-3H3,(H,16,17).
What are the key properties of N-(2-amino-2-ethylbutyl)-3-methylpyridine-2-carboxamide?
N-(2-amino-2-ethylbutyl)-3-methylpyridine-2-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 81483749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).