N,1-dibutyl-2,6-dimethyl-4-oxopyridine-3-carboxamide

C16H26N2O2 — CID 12920971

IUPACN,1-dibutyl-2,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCCCCNC(=O)c1c(C)n(CCCC)c(C)cc1=O
InChIInChI=1S/C16H26N2O2/c1-5-7-9-17-16(20)15-13(4)18(10-8-6-2)12(3)11-14(15)19/h11H,5-10H2,1-4H3,(H,17,20)
InChIKeyQVGWUAJALZUURI-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.80
Rot. Bonds7

About N,1-dibutyl-2,6-dimethyl-4-oxopyridine-3-carboxamide

N,1-dibutyl-2,6-dimethyl-4-oxopyridine-3-carboxamide (PubChem CID 12920971) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N,1-dibutyl-2,6-dimethyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN,1-dibutyl-2,6-dimethyl-4-oxopyridine-3-carboxamide
PubChem CID12920971
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN,1-dibutyl-2,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCCCCNC(=O)c1c(C)n(CCCC)c(C)cc1=O
InChIInChI=1S/C16H26N2O2/c1-5-7-9-17-16(20)15-13(4)18(10-8-6-2)12(3)11-14(15)19/h11H,5-10H2,1-4H3,(H,17,20)
InChIKeyQVGWUAJALZUURI-UHFFFAOYSA-N
XLogP2.80
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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,1-dibutyl-2,6-dimethyl-4-oxopyridine-3-carboxamide?
The IUPAC name of N,1-dibutyl-2,6-dimethyl-4-oxopyridine-3-carboxamide (CID 12920971) is N,1-dibutyl-2,6-dimethyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for N,1-dibutyl-2,6-dimethyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for N,1-dibutyl-2,6-dimethyl-4-oxopyridine-3-carboxamide is CCCCNC(=O)c1c(C)n(CCCC)c(C)cc1=O.
What is the InChIKey of N,1-dibutyl-2,6-dimethyl-4-oxopyridine-3-carboxamide?
The InChIKey is QVGWUAJALZUURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-7-9-17-16(20)15-13(4)18(10-8-6-2)12(3)11-14(15)19/h11H,5-10H2,1-4H3,(H,17,20).
What are the key properties of N,1-dibutyl-2,6-dimethyl-4-oxopyridine-3-carboxamide?
N,1-dibutyl-2,6-dimethyl-4-oxopyridine-3-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dibutyl-2,6-dimethyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 12920971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).