N-butyl-6-oxo-N-(thiophen-3-ylmethyl)-1H-pyridine-2-carboxamide

C15H18N2O2S — CID 50982437

IUPACN-butyl-6-oxo-N-(thiophen-3-ylmethyl)-1H-pyridine-2-carboxamide
SMILESCCCCN(Cc1ccsc1)C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C15H18N2O2S/c1-2-3-8-17(10-12-7-9-20-11-12)15(19)13-5-4-6-14(18)16-13/h4-7,9,11H,2-3,8,10H2,1H3,(H,16,18)
InChIKeyMJSYKJJYTBDJGK-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.88
Rot. Bonds6

About N-butyl-6-oxo-N-(thiophen-3-ylmethyl)-1H-pyridine-2-carboxamide

N-butyl-6-oxo-N-(thiophen-3-ylmethyl)-1H-pyridine-2-carboxamide (PubChem CID 50982437) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-butyl-6-oxo-N-(thiophen-3-ylmethyl)-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-6-oxo-N-(thiophen-3-ylmethyl)-1H-pyridine-2-carboxamide
PubChem CID50982437
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-butyl-6-oxo-N-(thiophen-3-ylmethyl)-1H-pyridine-2-carboxamide
SMILESCCCCN(Cc1ccsc1)C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C15H18N2O2S/c1-2-3-8-17(10-12-7-9-20-11-12)15(19)13-5-4-6-14(18)16-13/h4-7,9,11H,2-3,8,10H2,1H3,(H,16,18)
InChIKeyMJSYKJJYTBDJGK-UHFFFAOYSA-N
XLogP2.88
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-6-oxo-N-(thiophen-3-ylmethyl)-1H-pyridine-2-carboxamide?
The IUPAC name of N-butyl-6-oxo-N-(thiophen-3-ylmethyl)-1H-pyridine-2-carboxamide (CID 50982437) is N-butyl-6-oxo-N-(thiophen-3-ylmethyl)-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-butyl-6-oxo-N-(thiophen-3-ylmethyl)-1H-pyridine-2-carboxamide?
The canonical SMILES for N-butyl-6-oxo-N-(thiophen-3-ylmethyl)-1H-pyridine-2-carboxamide is CCCCN(Cc1ccsc1)C(=O)c1cccc(=O)[nH]1.
What is the InChIKey of N-butyl-6-oxo-N-(thiophen-3-ylmethyl)-1H-pyridine-2-carboxamide?
The InChIKey is MJSYKJJYTBDJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-2-3-8-17(10-12-7-9-20-11-12)15(19)13-5-4-6-14(18)16-13/h4-7,9,11H,2-3,8,10H2,1H3,(H,16,18).
What are the key properties of N-butyl-6-oxo-N-(thiophen-3-ylmethyl)-1H-pyridine-2-carboxamide?
N-butyl-6-oxo-N-(thiophen-3-ylmethyl)-1H-pyridine-2-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-oxo-N-(thiophen-3-ylmethyl)-1H-pyridine-2-carboxamide is sourced from PubChem (CID 50982437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).