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

C32H58N2O2 — CID 12920964

IUPACN,1-didodecyl-2,4-dimethyl-6-oxopyridine-3-carboxamide
SMILESCCCCCCCCCCCCNC(=O)c1c(C)cc(=O)n(CCCCCCCCCCCC)c1C
InChIInChI=1S/C32H58N2O2/c1-5-7-9-11-13-15-17-19-21-23-25-33-32(36)31-28(3)27-30(35)34(29(31)4)26-24-22-20-18-16-14-12-10-8-6-2/h27H,5-26H2,1-4H3,(H,33,36)
InChIKeyLYWHAQZXJFDMKG-UHFFFAOYSA-N
MW502.83 g/mol
LogP9.04
Rot. Bonds23

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

N,1-didodecyl-2,4-dimethyl-6-oxopyridine-3-carboxamide (PubChem CID 12920964) has the molecular formula C32H58N2O2 and a molecular weight of 502.83 g/mol. Its IUPAC name is N,1-didodecyl-2,4-dimethyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN,1-didodecyl-2,4-dimethyl-6-oxopyridine-3-carboxamide
PubChem CID12920964
Molecular FormulaC32H58N2O2
Molecular Weight502.83 g/mol
Exact Mass502.45
IUPAC NameN,1-didodecyl-2,4-dimethyl-6-oxopyridine-3-carboxamide
SMILESCCCCCCCCCCCCNC(=O)c1c(C)cc(=O)n(CCCCCCCCCCCC)c1C
InChIInChI=1S/C32H58N2O2/c1-5-7-9-11-13-15-17-19-21-23-25-33-32(36)31-28(3)27-30(35)34(29(31)4)26-24-22-20-18-16-14-12-10-8-6-2/h27H,5-26H2,1-4H3,(H,33,36)
InChIKeyLYWHAQZXJFDMKG-UHFFFAOYSA-N
XLogP9.04
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.83
LogP ≤ 59.04
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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Related Compounds

2,6-dimethyl-N3,N5-dioctyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 376622
N,1-dicyclohexyl-2,4-dimethyl-6-oxopyridine-3-carboxamide
CID 12920962
N,1-dibutyl-2,4-dimethyl-6-oxopyridine-3-carboxamide
CID 12920965
2,4-dimethyl-N,1-bis(2-methylbutyl)-6-oxopyridine-3-carboxamide
CID 12920969
(Z)-3-(dimethylamino)-2-methyl-N-propylpentadec-2-enamide
CID 17867892
(Z)-3-(dimethylamino)-2-methyl-N-propylundec-2-enamide
CID 17867893
(Z)-3-(dimethylamino)-2-methyl-N-propylnonadec-2-enamide
CID 17867903
1-Decyl-4,6-dimethyl-2-oxopyridine-3-carboxamide
CID 20312198
N,1-didodecyl-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 23037866
1-butyl-N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 23587729
N,1-dibutyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 23588002
1-dodecyl-N-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
CID 57026871

Frequently Asked Questions

What is the IUPAC name of N,1-didodecyl-2,4-dimethyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N,1-didodecyl-2,4-dimethyl-6-oxopyridine-3-carboxamide (CID 12920964) is N,1-didodecyl-2,4-dimethyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N,1-didodecyl-2,4-dimethyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N,1-didodecyl-2,4-dimethyl-6-oxopyridine-3-carboxamide is CCCCCCCCCCCCNC(=O)c1c(C)cc(=O)n(CCCCCCCCCCCC)c1C.
What is the InChIKey of N,1-didodecyl-2,4-dimethyl-6-oxopyridine-3-carboxamide?
The InChIKey is LYWHAQZXJFDMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H58N2O2/c1-5-7-9-11-13-15-17-19-21-23-25-33-32(36)31-28(3)27-30(35)34(29(31)4)26-24-22-20-18-16-14-12-10-8-6-2/h27H,5-26H2,1-4H3,(H,33,36).
What are the key properties of N,1-didodecyl-2,4-dimethyl-6-oxopyridine-3-carboxamide?
N,1-didodecyl-2,4-dimethyl-6-oxopyridine-3-carboxamide has a molecular weight of 502.83 g/mol, XLogP of 9.04, 23 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-didodecyl-2,4-dimethyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 12920964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).