5-[(1-cyclopropyl-2-phenylethyl)carbamoyl]pyrazine-2-carboxylic acid

C17H17N3O3 — CID 120685714

IUPAC5-[(1-cyclopropyl-2-phenylethyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)NC(Cc2ccccc2)C2CC2)cn1
InChIInChI=1S/C17H17N3O3/c21-16(14-9-19-15(10-18-14)17(22)23)20-13(12-6-7-12)8-11-4-2-1-3-5-11/h1-5,9-10,12-13H,6-8H2,(H,20,21)(H,22,23)
InChIKeyXLTBLUFGQDGOOM-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.93
Rot. Bonds6

About 5-[(1-cyclopropyl-2-phenylethyl)carbamoyl]pyrazine-2-carboxylic acid

5-[(1-cyclopropyl-2-phenylethyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120685714) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 5-[(1-cyclopropyl-2-phenylethyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-cyclopropyl-2-phenylethyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID120685714
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name5-[(1-cyclopropyl-2-phenylethyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)NC(Cc2ccccc2)C2CC2)cn1
InChIInChI=1S/C17H17N3O3/c21-16(14-9-19-15(10-18-14)17(22)23)20-13(12-6-7-12)8-11-4-2-1-3-5-11/h1-5,9-10,12-13H,6-8H2,(H,20,21)(H,22,23)
InChIKeyXLTBLUFGQDGOOM-UHFFFAOYSA-N
XLogP1.93
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(1-cyclopropyl-2-phenylethyl)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

5-[(1-carboxy-1-hydroxy-3-phenylpropan-2-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 71074543
4-[(1-cyclopropyl-2-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673788
1-[(1R)-1-cyclopropyl-2-phenylethyl]-3-methoxyurea
CID 95632300
(3R)-1-(cyclopropanecarbonyl)-N-[(1S)-1-cyclopropyl-2-phenylethyl]piperidine-3-carboxamide
CID 95632147
5-[(3-methyl-1-phenylbutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684810
4-[[(1-cyclopropyl-2-phenylethyl)carbamoylamino]methyl]benzoic acid
CID 122002941
N-[cyclopropyl(phenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 42929264
1-(1-cyclopropyl-2-phenylethyl)-3-(3-hydroxypropyl)urea
CID 111435397
1-(1-cyclopropyl-2-phenylethyl)-3-(4-methyl-2-pyridinyl)urea
CID 126776285
9-amino-N-(1-cyclopropyl-2-phenylethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990350
1-(1-cyclopropyl-2-phenylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618937
3-[(1-cyclopropyl-2-phenylethyl)carbamoyl-methylamino]propanoic acid
CID 122002942

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclopropyl-2-phenylethyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(1-cyclopropyl-2-phenylethyl)carbamoyl]pyrazine-2-carboxylic acid (CID 120685714) is 5-[(1-cyclopropyl-2-phenylethyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(1-cyclopropyl-2-phenylethyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(1-cyclopropyl-2-phenylethyl)carbamoyl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(C(=O)NC(Cc2ccccc2)C2CC2)cn1.
What is the InChIKey of 5-[(1-cyclopropyl-2-phenylethyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is XLTBLUFGQDGOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c21-16(14-9-19-15(10-18-14)17(22)23)20-13(12-6-7-12)8-11-4-2-1-3-5-11/h1-5,9-10,12-13H,6-8H2,(H,20,21)(H,22,23).
What are the key properties of 5-[(1-cyclopropyl-2-phenylethyl)carbamoyl]pyrazine-2-carboxylic acid?
5-[(1-cyclopropyl-2-phenylethyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 311.34 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclopropyl-2-phenylethyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120685714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).