5-[(2-pyrrolidin-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid

C16H16N4O3 — CID 120684789

IUPAC5-[(2-pyrrolidin-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)Nc2ccccc2N2CCCC2)cn1
InChIInChI=1S/C16H16N4O3/c21-15(12-9-18-13(10-17-12)16(22)23)19-11-5-1-2-6-14(11)20-7-3-4-8-20/h1-2,5-6,9-10H,3-4,7-8H2,(H,19,21)(H,22,23)
InChIKeyNWTYSECWEGAIMF-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.03
Rot. Bonds4

About 5-[(2-pyrrolidin-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid

5-[(2-pyrrolidin-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120684789) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 5-[(2-pyrrolidin-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-pyrrolidin-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID120684789
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name5-[(2-pyrrolidin-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)Nc2ccccc2N2CCCC2)cn1
InChIInChI=1S/C16H16N4O3/c21-15(12-9-18-13(10-17-12)16(22)23)19-11-5-1-2-6-14(11)20-7-3-4-8-20/h1-2,5-6,9-10H,3-4,7-8H2,(H,19,21)(H,22,23)
InChIKeyNWTYSECWEGAIMF-UHFFFAOYSA-N
XLogP2.03
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(2-pyrrolidin-1-ylphenyl)carbamoyl]pyrazine-2-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

N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
N-(2-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 62046501
N-[2-(azepan-1-yl)phenyl]-5,6-dichloropyridine-3-carboxamide
CID 18287671
N-(2-fluorophenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273799
4-amino-N-(2-piperidin-1-ylphenyl)benzamide
CID 119828017
3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 960458
N-(2-pyrrolidin-1-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 71844938
3,5-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 16557750
N-[2-(azepan-1-yl)phenyl]pyridine-3-carboxamide
CID 38282179
N-[2-(azepan-1-yl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 71881060
2-fluoro-N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 107358573
N-(2-methoxyphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273814

Frequently Asked Questions

What is the IUPAC name of 5-[(2-pyrrolidin-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(2-pyrrolidin-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid (CID 120684789) is 5-[(2-pyrrolidin-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-pyrrolidin-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(2-pyrrolidin-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(C(=O)Nc2ccccc2N2CCCC2)cn1.
What is the InChIKey of 5-[(2-pyrrolidin-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is NWTYSECWEGAIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c21-15(12-9-18-13(10-17-12)16(22)23)19-11-5-1-2-6-14(11)20-7-3-4-8-20/h1-2,5-6,9-10H,3-4,7-8H2,(H,19,21)(H,22,23).
What are the key properties of 5-[(2-pyrrolidin-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
5-[(2-pyrrolidin-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 312.33 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-pyrrolidin-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120684789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).