N-(2,2-diethyloxan-4-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C16H24N2O3 — CID 103871167

IUPACN-(2,2-diethyloxan-4-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCC1(CC)CC(NC(=O)c2c[nH]c(C)cc2=O)CCO1
InChIInChI=1S/C16H24N2O3/c1-4-16(5-2)9-12(6-7-21-16)18-15(20)13-10-17-11(3)8-14(13)19/h8,10,12H,4-7,9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyIOWPHRVTWFBCNB-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.15
Rot. Bonds4

About N-(2,2-diethyloxan-4-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-(2,2-diethyloxan-4-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103871167) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103871167
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-(2,2-diethyloxan-4-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCC1(CC)CC(NC(=O)c2c[nH]c(C)cc2=O)CCO1
InChIInChI=1S/C16H24N2O3/c1-4-16(5-2)9-12(6-7-21-16)18-15(20)13-10-17-11(3)8-14(13)19/h8,10,12H,4-7,9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyIOWPHRVTWFBCNB-UHFFFAOYSA-N
XLogP2.15
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2,2-diethyloxan-4-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 103871167) is N-(2,2-diethyloxan-4-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide is CCC1(CC)CC(NC(=O)c2c[nH]c(C)cc2=O)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is IOWPHRVTWFBCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-16(5-2)9-12(6-7-21-16)18-15(20)13-10-17-11(3)8-14(13)19/h8,10,12H,4-7,9H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-(2,2-diethyloxan-4-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-(2,2-diethyloxan-4-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103871167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).