1-dodecyl-N-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide

C21H36N2O3 — CID 57026871

IUPAC1-dodecyl-N-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
SMILESCCCCCCCCCCCCn1c(O)c(C(=O)NCC)c(C)cc1=O
InChIInChI=1S/C21H36N2O3/c1-4-6-7-8-9-10-11-12-13-14-15-23-18(24)16-17(3)19(21(23)26)20(25)22-5-2/h16,26H,4-15H2,1-3H3,(H,22,25)
InChIKeyRGQZBNBXLSGDJW-UHFFFAOYSA-N
MW364.53 g/mol
LogP4.53
Rot. Bonds13

About 1-dodecyl-N-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide

1-dodecyl-N-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide (PubChem CID 57026871) has the molecular formula C21H36N2O3 and a molecular weight of 364.53 g/mol. Its IUPAC name is 1-dodecyl-N-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-dodecyl-N-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
PubChem CID57026871
Molecular FormulaC21H36N2O3
Molecular Weight364.53 g/mol
Exact Mass364.27
IUPAC Name1-dodecyl-N-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
SMILESCCCCCCCCCCCCn1c(O)c(C(=O)NCC)c(C)cc1=O
InChIInChI=1S/C21H36N2O3/c1-4-6-7-8-9-10-11-12-13-14-15-23-18(24)16-17(3)19(21(23)26)20(25)22-5-2/h16,26H,4-15H2,1-3H3,(H,22,25)
InChIKeyRGQZBNBXLSGDJW-UHFFFAOYSA-N
XLogP4.53
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.53
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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Related Compounds

N,1-didodecyl-2,4-dimethyl-6-oxopyridine-3-carboxamide
CID 12920964
1-Butyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
CID 15216539
N-[(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)methyl]acetamide
CID 20518071
1-Cyclohexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
CID 20574983
1-Butyl-4-ethyl-2-hydroxy-6-oxopyridine-3-carboxamide
CID 22761577
1-(2-Ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
CID 23338597
1-ethyl-2-hydroxy-N,4-dimethyl-6-oxopyridine-3-carboxamide
CID 53899849
2-Hydroxy-4-methyl-1-octyl-6-oxopyridine-3-carboxamide
CID 57161202
1-Dodecyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one
CID 57170518
1-Dodecyl-6-hydroxy-4,5-dimethylpyridin-2-one
CID 57208717
1-Dodecyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
CID 57268271
1-dodecyl-2-hydroxy-N,4-dimethyl-6-oxopyridine-3-carboxamide
CID 57298207

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-N-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-dodecyl-N-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide (CID 57026871) is 1-dodecyl-N-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-dodecyl-N-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-dodecyl-N-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide is CCCCCCCCCCCCn1c(O)c(C(=O)NCC)c(C)cc1=O.
What is the InChIKey of 1-dodecyl-N-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is RGQZBNBXLSGDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O3/c1-4-6-7-8-9-10-11-12-13-14-15-23-18(24)16-17(3)19(21(23)26)20(25)22-5-2/h16,26H,4-15H2,1-3H3,(H,22,25).
What are the key properties of 1-dodecyl-N-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide?
1-dodecyl-N-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 364.53 g/mol, XLogP of 4.53, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-N-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 57026871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).