6-oxo-N-[2-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide

C12H16N2O3 — CID 60734395

IUPAC6-oxo-N-[2-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCCC1CCCO1)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H16N2O3/c15-11-4-3-9(8-14-11)12(16)13-6-5-10-2-1-7-17-10/h3-4,8,10H,1-2,5-7H2,(H,13,16)(H,14,15)
InChIKeyNNIHBXNVHJEZIH-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.67
Rot. Bonds4

About 6-oxo-N-[2-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide

6-oxo-N-[2-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide (PubChem CID 60734395) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-oxo-N-[2-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[2-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide
PubChem CID60734395
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name6-oxo-N-[2-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCCC1CCCO1)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H16N2O3/c15-11-4-3-9(8-14-11)12(16)13-6-5-10-2-1-7-17-10/h3-4,8,10H,1-2,5-7H2,(H,13,16)(H,14,15)
InChIKeyNNIHBXNVHJEZIH-UHFFFAOYSA-N
XLogP0.67
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 62249331
6-oxo-N,N-bis[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 94185139
4-[2-(oxan-2-yl)ethylcarbamoyl]benzoic acid
CID 106704122
4-amino-N-[2-(oxan-2-yl)ethyl]benzamide
CID 83633238
3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915859
N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47292432
3-methyl-4-(methylamino)-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 55164039
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[2-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 30895093
3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915842
N-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethylsulfonyl)benzamide
CID 55631834
3-(dimethylamino)-N-[2-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 94022695
N-[2-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 54917511

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[2-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[2-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide (CID 60734395) is 6-oxo-N-[2-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[2-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[2-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide is O=C(NCCC1CCCO1)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-[2-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide?
The InChIKey is NNIHBXNVHJEZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-11-4-3-9(8-14-11)12(16)13-6-5-10-2-1-7-17-10/h3-4,8,10H,1-2,5-7H2,(H,13,16)(H,14,15).
What are the key properties of 6-oxo-N-[2-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide?
6-oxo-N-[2-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[2-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 60734395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).