N,N-diethyl-3-hydroxy-1,6-dimethyl-4-oxopyridine-2-carboxamide

C12H18N2O3 — CID 54704399

IUPACN,N-diethyl-3-hydroxy-1,6-dimethyl-4-oxopyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1c(O)c(=O)cc(C)n1C
InChIInChI=1S/C12H18N2O3/c1-5-14(6-2)12(17)10-11(16)9(15)7-8(3)13(10)4/h7,16H,5-6H2,1-4H3
InChIKeyQKDLUZWKTJHDMI-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.88
Rot. Bonds3

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

N,N-diethyl-3-hydroxy-1,6-dimethyl-4-oxopyridine-2-carboxamide (PubChem CID 54704399) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N,N-diethyl-3-hydroxy-1,6-dimethyl-4-oxopyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-hydroxy-1,6-dimethyl-4-oxopyridine-2-carboxamide
PubChem CID54704399
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN,N-diethyl-3-hydroxy-1,6-dimethyl-4-oxopyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1c(O)c(=O)cc(C)n1C
InChIInChI=1S/C12H18N2O3/c1-5-14(6-2)12(17)10-11(16)9(15)7-8(3)13(10)4/h7,16H,5-6H2,1-4H3
InChIKeyQKDLUZWKTJHDMI-UHFFFAOYSA-N
XLogP0.88
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-hydroxy-1,6-dimethyl-4-oxopyridine-2-carboxamide?
The IUPAC name of N,N-diethyl-3-hydroxy-1,6-dimethyl-4-oxopyridine-2-carboxamide (CID 54704399) is N,N-diethyl-3-hydroxy-1,6-dimethyl-4-oxopyridine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-3-hydroxy-1,6-dimethyl-4-oxopyridine-2-carboxamide?
The canonical SMILES for N,N-diethyl-3-hydroxy-1,6-dimethyl-4-oxopyridine-2-carboxamide is CCN(CC)C(=O)c1c(O)c(=O)cc(C)n1C.
What is the InChIKey of N,N-diethyl-3-hydroxy-1,6-dimethyl-4-oxopyridine-2-carboxamide?
The InChIKey is QKDLUZWKTJHDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-5-14(6-2)12(17)10-11(16)9(15)7-8(3)13(10)4/h7,16H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-3-hydroxy-1,6-dimethyl-4-oxopyridine-2-carboxamide?
N,N-diethyl-3-hydroxy-1,6-dimethyl-4-oxopyridine-2-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-hydroxy-1,6-dimethyl-4-oxopyridine-2-carboxamide is sourced from PubChem (CID 54704399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).