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

C12H16N2O3 — CID 47292432

IUPACN-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC1CCCOC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H16N2O3/c15-11-4-3-10(7-13-11)12(16)14-6-9-2-1-5-17-8-9/h3-4,7,9H,1-2,5-6,8H2,(H,13,15)(H,14,16)
InChIKeyWGINKHSLQDPPJM-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.53
Rot. Bonds3

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

N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 47292432) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID47292432
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC1CCCOC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H16N2O3/c15-11-4-3-10(7-13-11)12(16)14-6-9-2-1-5-17-8-9/h3-4,7,9H,1-2,5-6,8H2,(H,13,15)(H,14,16)
InChIKeyWGINKHSLQDPPJM-UHFFFAOYSA-N
XLogP0.53
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 63361586
4-hydrazinyl-N-(oxan-3-ylmethyl)benzamide
CID 62247297
4-(ethylamino)-N-(oxan-3-ylmethyl)benzamide
CID 62175319
N-[[(3R)-oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 94194267
6-oxo-N-[2-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide
CID 60734395
4-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 90818078
4-[ethyl(methyl)amino]-N-(oxan-3-ylmethyl)benzamide
CID 47447689
3-bromo-4-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79466570
3,4,5-trifluoro-N-(oxan-3-ylmethyl)benzamide
CID 55159260
N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 54905708
3-hydroxy-4-methoxy-N-(oxan-3-ylmethyl)benzamide
CID 79672650
2-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
CID 47298877

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide (CID 47292432) is N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide is O=C(NCC1CCCOC1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WGINKHSLQDPPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-11-4-3-10(7-13-11)12(16)14-6-9-2-1-5-17-8-9/h3-4,7,9H,1-2,5-6,8H2,(H,13,15)(H,14,16).
What are the key properties of N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 47292432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).