N-(4-amino-2-methylbutyl)-6-methylpyridine-2-carboxamide

C12H19N3O — CID 66089048

IUPACN-(4-amino-2-methylbutyl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCC(C)CCN)n1
InChIInChI=1S/C12H19N3O/c1-9(6-7-13)8-14-12(16)11-5-3-4-10(2)15-11/h3-5,9H,6-8,13H2,1-2H3,(H,14,16)
InChIKeyAREMRIXFXIZCNW-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.10
Rot. Bonds5

About N-(4-amino-2-methylbutyl)-6-methylpyridine-2-carboxamide

N-(4-amino-2-methylbutyl)-6-methylpyridine-2-carboxamide (PubChem CID 66089048) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(4-amino-2-methylbutyl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methylbutyl)-6-methylpyridine-2-carboxamide
PubChem CID66089048
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(4-amino-2-methylbutyl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCC(C)CCN)n1
InChIInChI=1S/C12H19N3O/c1-9(6-7-13)8-14-12(16)11-5-3-4-10(2)15-11/h3-5,9H,6-8,13H2,1-2H3,(H,14,16)
InChIKeyAREMRIXFXIZCNW-UHFFFAOYSA-N
XLogP1.10
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloropropyl)-6-methylpyridine-2-carboxamide
CID 114296366
(2S)-2-methyl-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid
CID 94540901
N-(4-amino-2-methylbutyl)quinoline-2-carboxamide
CID 66089499
N-(2-ethylbutyl)-6-methylpyridine-2-carboxamide
CID 115612957
N-(2-chloro-4-methylpentyl)-6-methylpyridine-2-carboxamide
CID 107157522
N-(4-amino-2-methylbutyl)-2,3-dimethylbenzamide
CID 66092297
N-(4-amino-2-methylbutyl)-2-methylbenzamide
CID 66089966
6-amino-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 63962957
3-[(6-methylpyridine-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62884347
N-(4-amino-2-methylbutyl)-1-benzofuran-2-carboxamide
CID 66089049
5-[(6-bromopyridine-2-carbonyl)amino]-4-methylpentanoic acid
CID 114037558
N-[[1-(aminomethyl)cyclopropyl]methyl]-6-methylpyridine-2-carboxamide
CID 115456878

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylbutyl)-6-methylpyridine-2-carboxamide?
The IUPAC name of N-(4-amino-2-methylbutyl)-6-methylpyridine-2-carboxamide (CID 66089048) is N-(4-amino-2-methylbutyl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(4-amino-2-methylbutyl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-(4-amino-2-methylbutyl)-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)NCC(C)CCN)n1.
What is the InChIKey of N-(4-amino-2-methylbutyl)-6-methylpyridine-2-carboxamide?
The InChIKey is AREMRIXFXIZCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(6-7-13)8-14-12(16)11-5-3-4-10(2)15-11/h3-5,9H,6-8,13H2,1-2H3,(H,14,16).
What are the key properties of N-(4-amino-2-methylbutyl)-6-methylpyridine-2-carboxamide?
N-(4-amino-2-methylbutyl)-6-methylpyridine-2-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylbutyl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 66089048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).