N-(2-hydroxy-2-methylpentyl)-3-(2-oxo-1-pyridinyl)propanamide

C14H22N2O3 — CID 103713040

IUPACN-(2-hydroxy-2-methylpentyl)-3-(2-oxo-1-pyridinyl)propanamide
SMILESCCCC(C)(O)CNC(=O)CCn1ccccc1=O
InChIInChI=1S/C14H22N2O3/c1-3-8-14(2,19)11-15-12(17)7-10-16-9-5-4-6-13(16)18/h4-6,9,19H,3,7-8,10-11H2,1-2H3,(H,15,17)
InChIKeyJWHVIDFEUKMEQP-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.91
Rot. Bonds7

About N-(2-hydroxy-2-methylpentyl)-3-(2-oxo-1-pyridinyl)propanamide

N-(2-hydroxy-2-methylpentyl)-3-(2-oxo-1-pyridinyl)propanamide (PubChem CID 103713040) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpentyl)-3-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpentyl)-3-(2-oxo-1-pyridinyl)propanamide
PubChem CID103713040
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-(2-hydroxy-2-methylpentyl)-3-(2-oxo-1-pyridinyl)propanamide
SMILESCCCC(C)(O)CNC(=O)CCn1ccccc1=O
InChIInChI=1S/C14H22N2O3/c1-3-8-14(2,19)11-15-12(17)7-10-16-9-5-4-6-13(16)18/h4-6,9,19H,3,7-8,10-11H2,1-2H3,(H,15,17)
InChIKeyJWHVIDFEUKMEQP-UHFFFAOYSA-N
XLogP0.91
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpentyl)-3-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-(2-hydroxy-2-methylpentyl)-3-(2-oxo-1-pyridinyl)propanamide (CID 103713040) is N-(2-hydroxy-2-methylpentyl)-3-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpentyl)-3-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-(2-hydroxy-2-methylpentyl)-3-(2-oxo-1-pyridinyl)propanamide is CCCC(C)(O)CNC(=O)CCn1ccccc1=O.
What is the InChIKey of N-(2-hydroxy-2-methylpentyl)-3-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is JWHVIDFEUKMEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-8-14(2,19)11-15-12(17)7-10-16-9-5-4-6-13(16)18/h4-6,9,19H,3,7-8,10-11H2,1-2H3,(H,15,17).
What are the key properties of N-(2-hydroxy-2-methylpentyl)-3-(2-oxo-1-pyridinyl)propanamide?
N-(2-hydroxy-2-methylpentyl)-3-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 266.34 g/mol, XLogP of 0.91, 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-methylpentyl)-3-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 103713040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).