6-(1-thiophen-3-ylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid

C14H14N2O3S — CID 61151193

IUPAC6-(1-thiophen-3-ylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESCC(Cc1ccsc1)NC(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C14H14N2O3S/c1-9(6-10-4-5-20-8-10)16-13(17)12-3-2-11(7-15-12)14(18)19/h2-5,7-9H,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyGDYLENXSWSKCHZ-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.20
Rot. Bonds5

About 6-(1-thiophen-3-ylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid

6-(1-thiophen-3-ylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 61151193) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 6-(1-thiophen-3-ylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(1-thiophen-3-ylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID61151193
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name6-(1-thiophen-3-ylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESCC(Cc1ccsc1)NC(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C14H14N2O3S/c1-9(6-10-4-5-20-8-10)16-13(17)12-3-2-11(7-15-12)14(18)19/h2-5,7-9H,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyGDYLENXSWSKCHZ-UHFFFAOYSA-N
XLogP2.20
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 63748666
6-(1-thiophen-3-ylethylcarbamoyl)pyridine-3-carboxylic acid
CID 62845141
5-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyrazine-2-carboxamide
CID 107375175
6-(pentan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43427288
4-amino-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 62186482
2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 61150801
2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid
CID 61475052
5-[methyl-[(2S)-1-thiophen-3-ylpropan-2-yl]carbamoyl]pyridine-2-carboxylic acid
CID 129414965
6-bromo-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 103889839
5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844981
2-N,5-N-bis[(2S)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844984
4-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 62177548

Frequently Asked Questions

What is the IUPAC name of 6-(1-thiophen-3-ylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(1-thiophen-3-ylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid (CID 61151193) is 6-(1-thiophen-3-ylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(1-thiophen-3-ylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(1-thiophen-3-ylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid is CC(Cc1ccsc1)NC(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(1-thiophen-3-ylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is GDYLENXSWSKCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-9(6-10-4-5-20-8-10)16-13(17)12-3-2-11(7-15-12)14(18)19/h2-5,7-9H,6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 6-(1-thiophen-3-ylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid?
6-(1-thiophen-3-ylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 290.34 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-thiophen-3-ylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 61151193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).