N-(2-hydroxy-2-propylpentyl)-1-methyl-2-oxopyridine-4-carboxamide

C15H24N2O3 — CID 111444713

IUPACN-(2-hydroxy-2-propylpentyl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCCCC(O)(CCC)CNC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C15H24N2O3/c1-4-7-15(20,8-5-2)11-16-14(19)12-6-9-17(3)13(18)10-12/h6,9-10,20H,4-5,7-8,11H2,1-3H3,(H,16,19)
InChIKeyQRVXRVPVLHDKOX-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.45
Rot. Bonds7

About N-(2-hydroxy-2-propylpentyl)-1-methyl-2-oxopyridine-4-carboxamide

N-(2-hydroxy-2-propylpentyl)-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 111444713) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(2-hydroxy-2-propylpentyl)-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-propylpentyl)-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID111444713
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-(2-hydroxy-2-propylpentyl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCCCC(O)(CCC)CNC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C15H24N2O3/c1-4-7-15(20,8-5-2)11-16-14(19)12-6-9-17(3)13(18)10-12/h6,9-10,20H,4-5,7-8,11H2,1-3H3,(H,16,19)
InChIKeyQRVXRVPVLHDKOX-UHFFFAOYSA-N
XLogP1.45
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-2-methylsulfanylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103709300
N-butyl-1-methyl-2-oxopyridine-4-carboxamide
CID 35555679
1-methyl-N-(2-methyl-2-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide
CID 103713487
N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 104857762
N-(5-amino-2,2-dimethylpentyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 106140544
N-(2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 113232055
N-[2-[ethyl(propyl)amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103719329
1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide
CID 35556772
1-methyl-N-(3-methyl-2-oxobutyl)-2-oxopyridine-4-carboxamide
CID 104860744
N-[2-(dimethylcarbamoylamino)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103895646
3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]pentanoic acid
CID 81065047
N-[2-(2-chloroethyl)pentyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 106117560

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-propylpentyl)-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-(2-hydroxy-2-propylpentyl)-1-methyl-2-oxopyridine-4-carboxamide (CID 111444713) is N-(2-hydroxy-2-propylpentyl)-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-propylpentyl)-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-propylpentyl)-1-methyl-2-oxopyridine-4-carboxamide is CCCC(O)(CCC)CNC(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of N-(2-hydroxy-2-propylpentyl)-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is QRVXRVPVLHDKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-7-15(20,8-5-2)11-16-14(19)12-6-9-17(3)13(18)10-12/h6,9-10,20H,4-5,7-8,11H2,1-3H3,(H,16,19).
What are the key properties of N-(2-hydroxy-2-propylpentyl)-1-methyl-2-oxopyridine-4-carboxamide?
N-(2-hydroxy-2-propylpentyl)-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-propylpentyl)-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 111444713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).