N-[[(3R)-oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

C12H16N2O3 — CID 94194267

IUPACN-[[(3R)-oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC[C@H]1CCCOC1)c1ccc[nH]c1=O
InChIInChI=1S/C12H16N2O3/c15-11-10(4-1-5-13-11)12(16)14-7-9-3-2-6-17-8-9/h1,4-5,9H,2-3,6-8H2,(H,13,15)(H,14,16)/t9-/m1/s1
InChIKeyMIXMEAVYSLNRIZ-SECBINFHSA-N
MW236.27 g/mol
LogP0.53
Rot. Bonds3

About N-[[(3R)-oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

N-[[(3R)-oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 94194267) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-[[(3R)-oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID94194267
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-[[(3R)-oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC[C@H]1CCCOC1)c1ccc[nH]c1=O
InChIInChI=1S/C12H16N2O3/c15-11-10(4-1-5-13-11)12(16)14-7-9-3-2-6-17-8-9/h1,4-5,9H,2-3,6-8H2,(H,13,15)(H,14,16)/t9-/m1/s1
InChIKeyMIXMEAVYSLNRIZ-SECBINFHSA-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

2-hydroxy-3-methyl-N-(oxan-3-ylmethyl)benzamide
CID 61073826
2-oxo-N-(pyrrolidin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 80564171
N-[[(3S)-oxan-3-yl]methyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide
CID 95977536
2-bromo-3-methyl-N-(oxan-3-ylmethyl)benzamide
CID 113338886
2-oxo-N-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-1H-pyridine-3-carboxamide
CID 52511157
N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47292432
N-(oxan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850075
2-chloro-3-nitro-N-(oxan-3-ylmethyl)benzamide
CID 115931070
3-amino-2-nitro-N-(oxan-3-ylmethyl)benzamide
CID 115548779
2-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1H-pyridine-3-carboxamide
CID 46403357
N-[(1-benzoylpiperidin-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 136527096
5-amino-N-(oxan-3-ylmethyl)-1H-indole-3-carboxamide
CID 63116756

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[(3R)-oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 94194267) is N-[[(3R)-oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[(3R)-oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[(3R)-oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is O=C(NC[C@H]1CCCOC1)c1ccc[nH]c1=O.
What is the InChIKey of N-[[(3R)-oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MIXMEAVYSLNRIZ-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-11-10(4-1-5-13-11)12(16)14-7-9-3-2-6-17-8-9/h1,4-5,9H,2-3,6-8H2,(H,13,15)(H,14,16)/t9-/m1/s1.
What are the key properties of N-[[(3R)-oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[[(3R)-oxan-3-yl]methyl]-2-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-[[(3R)-oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 94194267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).