5-[methyl-[(2S)-1-thiophen-3-ylpropan-2-yl]carbamoyl]pyridine-2-carboxylic acid

C15H16N2O3S — CID 129414965

IUPAC5-[methyl-[(2S)-1-thiophen-3-ylpropan-2-yl]carbamoyl]pyridine-2-carboxylic acid
SMILESC[C@@H](Cc1ccsc1)N(C)C(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C15H16N2O3S/c1-10(7-11-5-6-21-9-11)17(2)14(18)12-3-4-13(15(19)20)16-8-12/h3-6,8-10H,7H2,1-2H3,(H,19,20)/t10-/m0/s1
InChIKeyUSXSDFXHXFVJGD-JTQLQIEISA-N
MW304.37 g/mol
LogP2.54
Rot. Bonds5

About 5-[methyl-[(2S)-1-thiophen-3-ylpropan-2-yl]carbamoyl]pyridine-2-carboxylic acid

5-[methyl-[(2S)-1-thiophen-3-ylpropan-2-yl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 129414965) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 5-[methyl-[(2S)-1-thiophen-3-ylpropan-2-yl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[methyl-[(2S)-1-thiophen-3-ylpropan-2-yl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID129414965
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name5-[methyl-[(2S)-1-thiophen-3-ylpropan-2-yl]carbamoyl]pyridine-2-carboxylic acid
SMILESC[C@@H](Cc1ccsc1)N(C)C(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C15H16N2O3S/c1-10(7-11-5-6-21-9-11)17(2)14(18)12-3-4-13(15(19)20)16-8-12/h3-6,8-10H,7H2,1-2H3,(H,19,20)/t10-/m0/s1
InChIKeyUSXSDFXHXFVJGD-JTQLQIEISA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[methyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]furan-2-carboxylic acid
CID 154751955
6-(1-thiophen-3-ylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 61151193
5-[methyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylic acid
CID 115490786
3-hydroxy-N-methyl-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 71975319
2-[ethyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]pyridine-4-carboxylic acid
CID 122056280
5-[methyl-[1-(1-methylcyclopropyl)ethyl]carbamoyl]pyridine-2-carboxylic acid
CID 119152141
4-[[ethyl(1-thiophen-3-ylpropan-2-yl)amino]methyl]benzoic acid
CID 122033177
5-[(thiophen-3-ylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81095921
5-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 63748666
5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414824
5-chloro-6-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pyridine-3-carboxamide
CID 133356764
4-[[[ethyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]amino]methyl]benzoic acid
CID 122020728

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[(2S)-1-thiophen-3-ylpropan-2-yl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[methyl-[(2S)-1-thiophen-3-ylpropan-2-yl]carbamoyl]pyridine-2-carboxylic acid (CID 129414965) is 5-[methyl-[(2S)-1-thiophen-3-ylpropan-2-yl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[methyl-[(2S)-1-thiophen-3-ylpropan-2-yl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[methyl-[(2S)-1-thiophen-3-ylpropan-2-yl]carbamoyl]pyridine-2-carboxylic acid is C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[methyl-[(2S)-1-thiophen-3-ylpropan-2-yl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is USXSDFXHXFVJGD-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10(7-11-5-6-21-9-11)17(2)14(18)12-3-4-13(15(19)20)16-8-12/h3-6,8-10H,7H2,1-2H3,(H,19,20)/t10-/m0/s1.
What are the key properties of 5-[methyl-[(2S)-1-thiophen-3-ylpropan-2-yl]carbamoyl]pyridine-2-carboxylic acid?
5-[methyl-[(2S)-1-thiophen-3-ylpropan-2-yl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[(2S)-1-thiophen-3-ylpropan-2-yl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 129414965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).