3-amino-6-(4-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide

C18H15N5O2 — CID 52937455

IUPAC3-amino-6-(4-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide
SMILESNC(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C18H15N5O2/c19-16-15(18(25)22-13-4-2-1-3-5-13)23-14(10-21-16)11-6-8-12(9-7-11)17(20)24/h1-10H,(H2,19,21)(H2,20,24)(H,22,25)
InChIKeyFCCPDQKWEDPACW-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.08
Rot. Bonds4

About 3-amino-6-(4-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide

3-amino-6-(4-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide (PubChem CID 52937455) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 3-amino-6-(4-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(4-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide
PubChem CID52937455
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name3-amino-6-(4-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide
SMILESNC(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C18H15N5O2/c19-16-15(18(25)22-13-4-2-1-3-5-13)23-14(10-21-16)11-6-8-12(9-7-11)17(20)24/h1-10H,(H2,19,21)(H2,20,24)(H,22,25)
InChIKeyFCCPDQKWEDPACW-UHFFFAOYSA-N
XLogP2.08
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-6-(4-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(4-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide (CID 52937455) is 3-amino-6-(4-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(4-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(4-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide is NC(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1.
What is the InChIKey of 3-amino-6-(4-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide?
The InChIKey is FCCPDQKWEDPACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c19-16-15(18(25)22-13-4-2-1-3-5-13)23-14(10-21-16)11-6-8-12(9-7-11)17(20)24/h1-10H,(H2,19,21)(H2,20,24)(H,22,25).
What are the key properties of 3-amino-6-(4-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide?
3-amino-6-(4-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 52937455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).