N-butyl-3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanamide

C13H20N2O3 — CID 14956317

IUPACN-butyl-3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanamide
SMILESCCCCNC(=O)CCn1ccc(=O)c(O)c1C
InChIInChI=1S/C13H20N2O3/c1-3-4-7-14-12(17)6-9-15-8-5-11(16)13(18)10(15)2/h5,8,18H,3-4,6-7,9H2,1-2H3,(H,14,17)
InChIKeyORWFAGHAHCSKTC-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.17
Rot. Bonds6

About N-butyl-3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanamide

N-butyl-3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanamide (PubChem CID 14956317) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-butyl-3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-butyl-3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanamide
PubChem CID14956317
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-butyl-3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanamide
SMILESCCCCNC(=O)CCn1ccc(=O)c(O)c1C
InChIInChI=1S/C13H20N2O3/c1-3-4-7-14-12(17)6-9-15-8-5-11(16)13(18)10(15)2/h5,8,18H,3-4,6-7,9H2,1-2H3,(H,14,17)
InChIKeyORWFAGHAHCSKTC-UHFFFAOYSA-N
XLogP1.17
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-butyl-3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanamide (CID 14956317) is N-butyl-3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-butyl-3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-butyl-3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanamide is CCCCNC(=O)CCn1ccc(=O)c(O)c1C.
What is the InChIKey of N-butyl-3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanamide?
The InChIKey is ORWFAGHAHCSKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-4-7-14-12(17)6-9-15-8-5-11(16)13(18)10(15)2/h5,8,18H,3-4,6-7,9H2,1-2H3,(H,14,17).
What are the key properties of N-butyl-3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanamide?
N-butyl-3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanamide has a molecular weight of 252.31 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 14956317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).