N-(oxan-3-yl)-6-oxo-1H-pyridine-3-carboxamide

C11H14N2O3 — CID 63361586

IUPACN-(oxan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCCOC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H14N2O3/c14-10-4-3-8(6-12-10)11(15)13-9-2-1-5-16-7-9/h3-4,6,9H,1-2,5,7H2,(H,12,14)(H,13,15)
InChIKeyKZNZHMVEWBRCFC-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.28
Rot. Bonds2

About N-(oxan-3-yl)-6-oxo-1H-pyridine-3-carboxamide

N-(oxan-3-yl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 63361586) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is N-(oxan-3-yl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(oxan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID63361586
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC NameN-(oxan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCCOC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H14N2O3/c14-10-4-3-8(6-12-10)11(15)13-9-2-1-5-16-7-9/h3-4,6,9H,1-2,5,7H2,(H,12,14)(H,13,15)
InChIKeyKZNZHMVEWBRCFC-UHFFFAOYSA-N
XLogP0.28
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47292432
4-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808216
4-(N'-hydroxycarbamimidoyl)-N-(oxan-3-yl)benzamide
CID 76995462
3,5-dihydroxy-N-(oxan-3-yl)benzamide
CID 103941335
4-bromo-3-chloro-N-(oxan-3-yl)benzamide
CID 81004514
N-[(3S)-oxan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 124606510
6-oxo-N-[2-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide
CID 60734395
N-(2-hydroxycycloheptyl)-6-oxo-1H-pyridine-3-carboxamide
CID 113394807
1-methyl-N-(oxan-3-yl)-2-oxopyridine-4-carboxamide
CID 113232784
N-(2-methylcyclopentyl)-6-oxo-1H-pyridine-3-carboxamide
CID 63279324
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 94466647
4-hydroxy-N-(oxolan-3-yl)benzamide
CID 80713158

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-yl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(oxan-3-yl)-6-oxo-1H-pyridine-3-carboxamide (CID 63361586) is N-(oxan-3-yl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(oxan-3-yl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(oxan-3-yl)-6-oxo-1H-pyridine-3-carboxamide is O=C(NC1CCCOC1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(oxan-3-yl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is KZNZHMVEWBRCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-10-4-3-8(6-12-10)11(15)13-9-2-1-5-16-7-9/h3-4,6,9H,1-2,5,7H2,(H,12,14)(H,13,15).
What are the key properties of N-(oxan-3-yl)-6-oxo-1H-pyridine-3-carboxamide?
N-(oxan-3-yl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 222.24 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-yl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 63361586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).