N-(3-ethyl-2-hydroxypentyl)-1-methyl-6-oxopyridine-3-carboxamide

C14H22N2O3 — CID 111115756

IUPACN-(3-ethyl-2-hydroxypentyl)-1-methyl-6-oxopyridine-3-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C14H22N2O3/c1-4-10(5-2)12(17)8-15-14(19)11-6-7-13(18)16(3)9-11/h6-7,9-10,12,17H,4-5,8H2,1-3H3,(H,15,19)
InChIKeyDFMCLDBRIRNJDB-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.91
Rot. Bonds6

About N-(3-ethyl-2-hydroxypentyl)-1-methyl-6-oxopyridine-3-carboxamide

N-(3-ethyl-2-hydroxypentyl)-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 111115756) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID111115756
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-1-methyl-6-oxopyridine-3-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C14H22N2O3/c1-4-10(5-2)12(17)8-15-14(19)11-6-7-13(18)16(3)9-11/h6-7,9-10,12,17H,4-5,8H2,1-3H3,(H,15,19)
InChIKeyDFMCLDBRIRNJDB-UHFFFAOYSA-N
XLogP0.91
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethyl-2-hydroxypentyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 111115737
4-acetamido-N-(3-ethyl-2-hydroxypentyl)benzamide
CID 103658545
1-ethyl-N-(3-ethyl-2-hydroxypentyl)-6-oxopyridazine-3-carboxamide
CID 111115815
N-(3-ethyl-2-hydroxypentyl)-2-methylpyrazole-3-carboxamide
CID 103658436
6-bromo-N-(3-ethyl-2-hydroxypentyl)pyridine-3-carboxamide
CID 103719398
N-[(E)-but-2-enyl]-1-methyl-6-oxopyridine-3-carboxamide;ethane
CID 178011179
1-methyl-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-6-oxopyridine-3-carboxamide
CID 46964107
4-cyano-N-(3-ethyl-2-hydroxypentyl)-1-methylpyrrole-2-carboxamide
CID 111911987
N-(3-ethyl-2-hydroxypentyl)-1-methylimidazole-4-carboxamide
CID 103803885
N-(3-ethyl-2-hydroxypentyl)-3-methylimidazole-4-carboxamide
CID 107261964
1-methyl-6-oxo-N-trimethylsilylpyridine-3-carboxamide
CID 610623
1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 120811165

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-1-methyl-6-oxopyridine-3-carboxamide (CID 111115756) is N-(3-ethyl-2-hydroxypentyl)-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-1-methyl-6-oxopyridine-3-carboxamide is CCC(CC)C(O)CNC(=O)c1ccc(=O)n(C)c1.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is DFMCLDBRIRNJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-10(5-2)12(17)8-15-14(19)11-6-7-13(18)16(3)9-11/h6-7,9-10,12,17H,4-5,8H2,1-3H3,(H,15,19).
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-1-methyl-6-oxopyridine-3-carboxamide?
N-(3-ethyl-2-hydroxypentyl)-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 111115756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).