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

C19H32N2O3 — CID 57268271

IUPAC1-dodecyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
SMILESCCCCCCCCCCCCn1c(O)c(C(N)=O)c(C)cc1=O
InChIInChI=1S/C19H32N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-21-16(22)14-15(2)17(18(20)23)19(21)24/h14,24H,3-13H2,1-2H3,(H2,20,23)
InChIKeyXUKVLUIRBGPVBC-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.88
Rot. Bonds12

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

1-dodecyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide (PubChem CID 57268271) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-dodecyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-dodecyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
PubChem CID57268271
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name1-dodecyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
SMILESCCCCCCCCCCCCn1c(O)c(C(N)=O)c(C)cc1=O
InChIInChI=1S/C19H32N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-21-16(22)14-15(2)17(18(20)23)19(21)24/h14,24H,3-13H2,1-2H3,(H2,20,23)
InChIKeyXUKVLUIRBGPVBC-UHFFFAOYSA-N
XLogP3.88
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.88
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-dodecyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-dodecyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide (CID 57268271) is 1-dodecyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-dodecyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-dodecyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide is CCCCCCCCCCCCn1c(O)c(C(N)=O)c(C)cc1=O.
What is the InChIKey of 1-dodecyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is XUKVLUIRBGPVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-21-16(22)14-15(2)17(18(20)23)19(21)24/h14,24H,3-13H2,1-2H3,(H2,20,23).
What are the key properties of 1-dodecyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide?
1-dodecyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 3.88, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 57268271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).