N-(oxolan-2-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide

C15H16N2O2S — CID 53149661

IUPACN-(oxolan-2-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(-c2ccsc2)nc1
InChIInChI=1S/C15H16N2O2S/c18-15(17-9-13-2-1-6-19-13)11-3-4-14(16-8-11)12-5-7-20-10-12/h3-5,7-8,10,13H,1-2,6,9H2,(H,17,18)
InChIKeyUMMOTMCTSFOATO-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.72
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide

N-(oxolan-2-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide (PubChem CID 53149661) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide
PubChem CID53149661
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-(oxolan-2-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(-c2ccsc2)nc1
InChIInChI=1S/C15H16N2O2S/c18-15(17-9-13-2-1-6-19-13)11-3-4-14(16-8-11)12-5-7-20-10-12/h3-5,7-8,10,13H,1-2,6,9H2,(H,17,18)
InChIKeyUMMOTMCTSFOATO-UHFFFAOYSA-N
XLogP2.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-6-thiophen-2-ylpyridine-3-carboxamide
CID 71830129
N-(oxolan-2-ylmethyl)-6-pyridin-2-ylpyridine-3-carboxamide
CID 110681810
N-(oxolan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109153510
6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 63972348
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
N-(oxolan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide
CID 58979589
6-(dipropylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109153658
6-morpholin-4-yl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 724881
6-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxylic acid
CID 126437683
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide (CID 53149661) is N-(oxolan-2-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide is O=C(NCC1CCCO1)c1ccc(-c2ccsc2)nc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide?
The InChIKey is UMMOTMCTSFOATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-15(17-9-13-2-1-6-19-13)11-3-4-14(16-8-11)12-5-7-20-10-12/h3-5,7-8,10,13H,1-2,6,9H2,(H,17,18).
What are the key properties of N-(oxolan-2-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide?
N-(oxolan-2-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 53149661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).