5-propan-2-yl-N-pyridin-3-ylthiophene-3-carboxamide

C13H14N2OS — CID 25237024

IUPAC5-propan-2-yl-N-pyridin-3-ylthiophene-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cccnc2)cs1
InChIInChI=1S/C13H14N2OS/c1-9(2)12-6-10(8-17-12)13(16)15-11-4-3-5-14-7-11/h3-9H,1-2H3,(H,15,16)
InChIKeyTZODFZIBCSAZHC-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.52
Rot. Bonds3

About 5-propan-2-yl-N-pyridin-3-ylthiophene-3-carboxamide

5-propan-2-yl-N-pyridin-3-ylthiophene-3-carboxamide (PubChem CID 25237024) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 5-propan-2-yl-N-pyridin-3-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-pyridin-3-ylthiophene-3-carboxamide
PubChem CID25237024
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name5-propan-2-yl-N-pyridin-3-ylthiophene-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cccnc2)cs1
InChIInChI=1S/C13H14N2OS/c1-9(2)12-6-10(8-17-12)13(16)15-11-4-3-5-14-7-11/h3-9H,1-2H3,(H,15,16)
InChIKeyTZODFZIBCSAZHC-UHFFFAOYSA-N
XLogP3.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
2-bromo-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 141426406
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
3,5-dichloro-N-pyridin-3-ylbenzamide
CID 1245821
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
ethane;3-methyl-N-pyridin-3-ylbenzamide
CID 145409327
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764
3-(dimethylamino)-N-pyridin-3-ylbenzamide
CID 23793187
2-N,4-N,6-N-tripyridin-3-ylpyrimidine-2,4,6-tricarboxamide
CID 144765692
3-phenyl-N-pyridin-3-ylbenzamide
CID 110723041
2-methoxy-N-pyridin-3-ylpyridine-4-carboxamide
CID 84580431
4-bromo-3,5-dimethoxy-N-pyridin-3-ylbenzamide
CID 27165075

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-pyridin-3-ylthiophene-3-carboxamide?
The IUPAC name of 5-propan-2-yl-N-pyridin-3-ylthiophene-3-carboxamide (CID 25237024) is 5-propan-2-yl-N-pyridin-3-ylthiophene-3-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-pyridin-3-ylthiophene-3-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-pyridin-3-ylthiophene-3-carboxamide is CC(C)c1cc(C(=O)Nc2cccnc2)cs1.
What is the InChIKey of 5-propan-2-yl-N-pyridin-3-ylthiophene-3-carboxamide?
The InChIKey is TZODFZIBCSAZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-9(2)12-6-10(8-17-12)13(16)15-11-4-3-5-14-7-11/h3-9H,1-2H3,(H,15,16).
What are the key properties of 5-propan-2-yl-N-pyridin-3-ylthiophene-3-carboxamide?
5-propan-2-yl-N-pyridin-3-ylthiophene-3-carboxamide has a molecular weight of 246.34 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-pyridin-3-ylthiophene-3-carboxamide is sourced from PubChem (CID 25237024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).