6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid

C15H16N2O3S — CID 61455935

IUPAC6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCC(C)N(Cc1cccs1)C(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C15H16N2O3S/c1-10(2)17(9-11-5-4-8-21-11)14(18)12-6-3-7-13(16-12)15(19)20/h3-8,10H,9H2,1-2H3,(H,19,20)
InChIKeyWDDPLULPWNHPFZ-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.89
Rot. Bonds5

About 6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid

6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 61455935) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID61455935
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCC(C)N(Cc1cccs1)C(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C15H16N2O3S/c1-10(2)17(9-11-5-4-8-21-11)14(18)12-6-3-7-13(16-12)15(19)20/h3-8,10H,9H2,1-2H3,(H,19,20)
InChIKeyWDDPLULPWNHPFZ-UHFFFAOYSA-N
XLogP2.89
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(ethylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 62240687
6-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 61437390
2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 55115786
6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558368
6-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]pyridine-2-carboxylic acid
CID 55125535
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
3-amino-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 61450256
4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
CID 63883409
1-(2-aminoethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
CID 107497882
6-[2-methoxyethyl(propan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 82960080
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 104742073

Frequently Asked Questions

What is the IUPAC name of 6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid (CID 61455935) is 6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid is CC(C)N(Cc1cccs1)C(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is WDDPLULPWNHPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10(2)17(9-11-5-4-8-21-11)14(18)12-6-3-7-13(16-12)15(19)20/h3-8,10H,9H2,1-2H3,(H,19,20).
What are the key properties of 6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid?
6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 61455935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).