N-(1-pyridin-3-ylethyl)thiophene-2-carboxamide

C12H12N2OS — CID 42889829

IUPACN-(1-pyridin-3-ylethyl)thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)c1cccnc1
InChIInChI=1S/C12H12N2OS/c1-9(10-4-2-6-13-8-10)14-12(15)11-5-3-7-16-11/h2-9H,1H3,(H,14,15)
InChIKeyAJTLEPUFTUSWHR-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.63
Rot. Bonds3

About N-(1-pyridin-3-ylethyl)thiophene-2-carboxamide

N-(1-pyridin-3-ylethyl)thiophene-2-carboxamide (PubChem CID 42889829) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is N-(1-pyridin-3-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-pyridin-3-ylethyl)thiophene-2-carboxamide
PubChem CID42889829
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC NameN-(1-pyridin-3-ylethyl)thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)c1cccnc1
InChIInChI=1S/C12H12N2OS/c1-9(10-4-2-6-13-8-10)14-12(15)11-5-3-7-16-11/h2-9H,1H3,(H,14,15)
InChIKeyAJTLEPUFTUSWHR-UHFFFAOYSA-N
XLogP2.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-thiophen-2-ylbutanamide
CID 40953428
N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]thiophene-2-carboxamide
CID 92500192
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
N-[1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
CID 45147147
N-[(1S)-1-(3-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 26908057
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43419974
N-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide
CID 4787429
N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide
CID 35973505
N-[(1R)-1-pyridin-2-ylethyl]thiophene-2-carboxamide
CID 35940231
4-bromo-N-(1-pyridin-3-ylethyl)benzamide
CID 18162969
4-fluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 18162974

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-3-ylethyl)thiophene-2-carboxamide?
The IUPAC name of N-(1-pyridin-3-ylethyl)thiophene-2-carboxamide (CID 42889829) is N-(1-pyridin-3-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-pyridin-3-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-pyridin-3-ylethyl)thiophene-2-carboxamide is CC(NC(=O)c1cccs1)c1cccnc1.
What is the InChIKey of N-(1-pyridin-3-ylethyl)thiophene-2-carboxamide?
The InChIKey is AJTLEPUFTUSWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-9(10-4-2-6-13-8-10)14-12(15)11-5-3-7-16-11/h2-9H,1H3,(H,14,15).
What are the key properties of N-(1-pyridin-3-ylethyl)thiophene-2-carboxamide?
N-(1-pyridin-3-ylethyl)thiophene-2-carboxamide has a molecular weight of 232.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-3-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 42889829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).