N-(2-amino-3-ethylpentyl)-2-oxo-1H-pyridine-4-carboxamide

C13H21N3O2 — CID 114168502

IUPACN-(2-amino-3-ethylpentyl)-2-oxo-1H-pyridine-4-carboxamide
SMILESCCC(CC)C(N)CNC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C13H21N3O2/c1-3-9(4-2)11(14)8-16-13(18)10-5-6-15-12(17)7-10/h5-7,9,11H,3-4,8,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyHWDFECIGYWBOCN-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.87
Rot. Bonds6

About N-(2-amino-3-ethylpentyl)-2-oxo-1H-pyridine-4-carboxamide

N-(2-amino-3-ethylpentyl)-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 114168502) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2-amino-3-ethylpentyl)-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-ethylpentyl)-2-oxo-1H-pyridine-4-carboxamide
PubChem CID114168502
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(2-amino-3-ethylpentyl)-2-oxo-1H-pyridine-4-carboxamide
SMILESCCC(CC)C(N)CNC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C13H21N3O2/c1-3-9(4-2)11(14)8-16-13(18)10-5-6-15-12(17)7-10/h5-7,9,11H,3-4,8,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyHWDFECIGYWBOCN-UHFFFAOYSA-N
XLogP0.87
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-3-ethylpentyl)-3,4-dimethylbenzamide
CID 106285997
N-(2-amino-3-ethylpentyl)-3-methylbenzamide
CID 106286438
N-(2-amino-3-ethylpentyl)-2-methylpyridine-4-carboxamide
CID 114168485
N-(2-amino-3-ethylpentyl)-4-ethylbenzamide
CID 106286266
3-methyl-2-[[(2-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid
CID 114039657
N-(2-amino-3-ethylpentyl)-3-hydroxy-4-methoxybenzamide
CID 106285822
N-(2-amino-3-ethylpentyl)-1H-pyrazole-4-carboxamide
CID 106285778
N-(2,2-dicyclopropylethyl)-2-oxo-1H-pyridine-4-carboxamide
CID 113257672
N-[2-(ethylamino)-2-oxoethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762717
N-(4-amino-2,2-dimethylbutyl)-2-oxo-1H-pyridine-4-carboxamide
CID 106140156
N-(2-chloro-2-phenylethyl)-2-oxo-1H-pyridine-4-carboxamide
CID 114039911
N-(2-amino-3-ethylpentyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 106286086

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-ethylpentyl)-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-(2-amino-3-ethylpentyl)-2-oxo-1H-pyridine-4-carboxamide (CID 114168502) is N-(2-amino-3-ethylpentyl)-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(2-amino-3-ethylpentyl)-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(2-amino-3-ethylpentyl)-2-oxo-1H-pyridine-4-carboxamide is CCC(CC)C(N)CNC(=O)c1cc[nH]c(=O)c1.
What is the InChIKey of N-(2-amino-3-ethylpentyl)-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is HWDFECIGYWBOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-9(4-2)11(14)8-16-13(18)10-5-6-15-12(17)7-10/h5-7,9,11H,3-4,8,14H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(2-amino-3-ethylpentyl)-2-oxo-1H-pyridine-4-carboxamide?
N-(2-amino-3-ethylpentyl)-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-ethylpentyl)-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 114168502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).