1-cyclopropyl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide

C16H24N2O3 — CID 59769607

IUPAC1-cyclopropyl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide
SMILESCCCCCCNC(=O)c1c(O)c(=O)cc(C)n1C1CC1
InChIInChI=1S/C16H24N2O3/c1-3-4-5-6-9-17-16(21)14-15(20)13(19)10-11(2)18(14)12-7-8-12/h10,12,20H,3-9H2,1-2H3,(H,17,21)
InChIKeyHAYCXCKVCJRZFE-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.51
Rot. Bonds7

About 1-cyclopropyl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide

1-cyclopropyl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide (PubChem CID 59769607) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide
PubChem CID59769607
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-cyclopropyl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide
SMILESCCCCCCNC(=O)c1c(O)c(=O)cc(C)n1C1CC1
InChIInChI=1S/C16H24N2O3/c1-3-4-5-6-9-17-16(21)14-15(20)13(19)10-11(2)18(14)12-7-8-12/h10,12,20H,3-9H2,1-2H3,(H,17,21)
InChIKeyHAYCXCKVCJRZFE-UHFFFAOYSA-N
XLogP2.51
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.51
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 1-cyclopropyl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide (CID 59769607) is 1-cyclopropyl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide is CCCCCCNC(=O)c1c(O)c(=O)cc(C)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide?
The InChIKey is HAYCXCKVCJRZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-4-5-6-9-17-16(21)14-15(20)13(19)10-11(2)18(14)12-7-8-12/h10,12,20H,3-9H2,1-2H3,(H,17,21).
What are the key properties of 1-cyclopropyl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide?
1-cyclopropyl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide is sourced from PubChem (CID 59769607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).