N-propyl-5-thiophen-2-ylpyridine-3-carboxamide

C13H14N2OS — CID 117083319

IUPACN-propyl-5-thiophen-2-ylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cncc(-c2cccs2)c1
InChIInChI=1S/C13H14N2OS/c1-2-5-15-13(16)11-7-10(8-14-9-11)12-4-3-6-17-12/h3-4,6-9H,2,5H2,1H3,(H,15,16)
InChIKeyJJUJXNLYMLOBTR-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.95
Rot. Bonds4

About N-propyl-5-thiophen-2-ylpyridine-3-carboxamide

N-propyl-5-thiophen-2-ylpyridine-3-carboxamide (PubChem CID 117083319) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-propyl-5-thiophen-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-propyl-5-thiophen-2-ylpyridine-3-carboxamide
PubChem CID117083319
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-propyl-5-thiophen-2-ylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cncc(-c2cccs2)c1
InChIInChI=1S/C13H14N2OS/c1-2-5-15-13(16)11-7-10(8-14-9-11)12-4-3-6-17-12/h3-4,6-9H,2,5H2,1H3,(H,15,16)
InChIKeyJJUJXNLYMLOBTR-UHFFFAOYSA-N
XLogP2.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
4-tert-butyl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 91630658
5-(3,4-dimethoxyphenyl)-N-propylpyridine-3-carboxamide
CID 42845920
N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 53020757
1-(2-methoxyethyl)-3-[(5-thiophen-2-yl-3-pyridinyl)methyl]urea
CID 91630690
5-phenyl-N-(3-thiophen-2-ylphenyl)pyridine-3-carboxamide
CID 141273560
[(1R)-1-[[(2S,3R)-3-hydroxy-2-[(5-thiophen-2-ylpyridine-3-carbonyl)amino]butanoyl]amino]-3-methylbutyl]boronic acid
CID 11676094
5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide
CID 109101145
5-(2-fluoroanilino)-N-propylpyridine-3-carboxamide
CID 109222874
5-N-(2-chlorophenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101245
5-(butylamino)-N-propylpyridine-3-carboxamide
CID 109222762
N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide
CID 69049062

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-thiophen-2-ylpyridine-3-carboxamide?
The IUPAC name of N-propyl-5-thiophen-2-ylpyridine-3-carboxamide (CID 117083319) is N-propyl-5-thiophen-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-propyl-5-thiophen-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-propyl-5-thiophen-2-ylpyridine-3-carboxamide is CCCNC(=O)c1cncc(-c2cccs2)c1.
What is the InChIKey of N-propyl-5-thiophen-2-ylpyridine-3-carboxamide?
The InChIKey is JJUJXNLYMLOBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-2-5-15-13(16)11-7-10(8-14-9-11)12-4-3-6-17-12/h3-4,6-9H,2,5H2,1H3,(H,15,16).
What are the key properties of N-propyl-5-thiophen-2-ylpyridine-3-carboxamide?
N-propyl-5-thiophen-2-ylpyridine-3-carboxamide has a molecular weight of 246.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-thiophen-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 117083319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).