N-[(1R)-1-pyridin-2-ylethyl]thiophene-2-carboxamide

C12H12N2OS — CID 35940231

IUPACN-[(1R)-1-pyridin-2-ylethyl]thiophene-2-carboxamide
SMILESC[C@@H](NC(=O)c1cccs1)c1ccccn1
InChIInChI=1S/C12H12N2OS/c1-9(10-5-2-3-7-13-10)14-12(15)11-6-4-8-16-11/h2-9H,1H3,(H,14,15)/t9-/m1/s1
InChIKeyTXAISZHPLNMGPR-SECBINFHSA-N
MW232.31 g/mol
LogP2.63
Rot. Bonds3

About N-[(1R)-1-pyridin-2-ylethyl]thiophene-2-carboxamide

N-[(1R)-1-pyridin-2-ylethyl]thiophene-2-carboxamide (PubChem CID 35940231) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is N-[(1R)-1-pyridin-2-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-pyridin-2-ylethyl]thiophene-2-carboxamide
PubChem CID35940231
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC NameN-[(1R)-1-pyridin-2-ylethyl]thiophene-2-carboxamide
SMILESC[C@@H](NC(=O)c1cccs1)c1ccccn1
InChIInChI=1S/C12H12N2OS/c1-9(10-5-2-3-7-13-10)14-12(15)11-6-4-8-16-11/h2-9H,1H3,(H,14,15)/t9-/m1/s1
InChIKeyTXAISZHPLNMGPR-SECBINFHSA-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-2-ylethyl]-4-thiophen-2-ylbutanamide
CID 25355039
3-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-carboxamide
CID 43007029
4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 81407597
N-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophene-3-carboxamide
CID 25343199
2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 36804802
N-(1-pyridin-3-ylethyl)thiophene-2-carboxamide
CID 42889829
N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 63037034
2-(methylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81406697
4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 35939821
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
5-amino-N-(1-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 81315746
2-amino-4-methyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 62793747

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-pyridin-2-ylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1R)-1-pyridin-2-ylethyl]thiophene-2-carboxamide (CID 35940231) is N-[(1R)-1-pyridin-2-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-pyridin-2-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1R)-1-pyridin-2-ylethyl]thiophene-2-carboxamide is C[C@@H](NC(=O)c1cccs1)c1ccccn1.
What is the InChIKey of N-[(1R)-1-pyridin-2-ylethyl]thiophene-2-carboxamide?
The InChIKey is TXAISZHPLNMGPR-SECBINFHSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-9(10-5-2-3-7-13-10)14-12(15)11-6-4-8-16-11/h2-9H,1H3,(H,14,15)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-pyridin-2-ylethyl]thiophene-2-carboxamide?
N-[(1R)-1-pyridin-2-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-[(1R)-1-pyridin-2-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 35940231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).