2-[ethyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]pyridine-4-carboxylic acid

C16H18N2O3S — CID 122056280

IUPAC2-[ethyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]pyridine-4-carboxylic acid
SMILESCCN(C(=O)c1cc(C(=O)O)ccn1)C(C)Cc1ccsc1
InChIInChI=1S/C16H18N2O3S/c1-3-18(11(2)8-12-5-7-22-10-12)15(19)14-9-13(16(20)21)4-6-17-14/h4-7,9-11H,3,8H2,1-2H3,(H,20,21)
InChIKeyJGERQPJOTQVIIP-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.93
Rot. Bonds6

About 2-[ethyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]pyridine-4-carboxylic acid

2-[ethyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]pyridine-4-carboxylic acid (PubChem CID 122056280) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-[ethyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]pyridine-4-carboxylic acid
PubChem CID122056280
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name2-[ethyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]pyridine-4-carboxylic acid
SMILESCCN(C(=O)c1cc(C(=O)O)ccn1)C(C)Cc1ccsc1
InChIInChI=1S/C16H18N2O3S/c1-3-18(11(2)8-12-5-7-22-10-12)15(19)14-9-13(16(20)21)4-6-17-14/h4-7,9-11H,3,8H2,1-2H3,(H,20,21)
InChIKeyJGERQPJOTQVIIP-UHFFFAOYSA-N
XLogP2.93
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[[ethyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]amino]methyl]benzoic acid
CID 122020728
2-[2-methylpropyl(propan-2-yl)carbamoyl]pyridine-4-carboxylic acid
CID 122055270
5-[methyl-[(2S)-1-thiophen-3-ylpropan-2-yl]carbamoyl]pyridine-2-carboxylic acid
CID 129414965
4-[[ethyl(1-thiophen-3-ylpropan-2-yl)amino]methyl]benzoic acid
CID 122033177
4-[ethyl(1-methoxypropan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 113263118
2-[methyl(2-methylbutyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055655
1-(1-thiophen-3-ylpropan-2-yl)benzimidazole-5-carboxylic acid
CID 61477345
2-(thiophen-3-ylmethylsulfanyl)pyridine-4-carboxylic acid
CID 61301082
4-(2-thiophen-3-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 113352919
5-(cyclopropanecarbonylamino)-N-ethyl-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)thiophene-2-carboxamide
CID 126775930
2-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-4-carboxylic acid
CID 122055619
2-[cyclopropyl-(4-methylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055290

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[ethyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]pyridine-4-carboxylic acid (CID 122056280) is 2-[ethyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[ethyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[ethyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]pyridine-4-carboxylic acid is CCN(C(=O)c1cc(C(=O)O)ccn1)C(C)Cc1ccsc1.
What is the InChIKey of 2-[ethyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]pyridine-4-carboxylic acid?
The InChIKey is JGERQPJOTQVIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-3-18(11(2)8-12-5-7-22-10-12)15(19)14-9-13(16(20)21)4-6-17-14/h4-7,9-11H,3,8H2,1-2H3,(H,20,21).
What are the key properties of 2-[ethyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]pyridine-4-carboxylic acid?
2-[ethyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]pyridine-4-carboxylic acid has a molecular weight of 318.40 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 122056280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).