3-amino-6-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyrazine-2-carboxamide

C20H21N7O — CID 155541166

IUPAC3-amino-6-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyrazine-2-carboxamide
SMILESNc1ncc(-c2cccc(N3CCNCC3)c2)nc1C(=O)Nc1ccncc1
InChIInChI=1S/C20H21N7O/c21-19-18(20(28)25-15-4-6-22-7-5-15)26-17(13-24-19)14-2-1-3-16(12-14)27-10-8-23-9-11-27/h1-7,12-13,23H,8-11H2,(H2,21,24)(H,22,25,28)
InChIKeyWPRPIXQUMYDVHQ-UHFFFAOYSA-N
MW375.44 g/mol
LogP1.78
Rot. Bonds4

About 3-amino-6-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyrazine-2-carboxamide

3-amino-6-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyrazine-2-carboxamide (PubChem CID 155541166) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 3-amino-6-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyrazine-2-carboxamide
PubChem CID155541166
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name3-amino-6-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyrazine-2-carboxamide
SMILESNc1ncc(-c2cccc(N3CCNCC3)c2)nc1C(=O)Nc1ccncc1
InChIInChI=1S/C20H21N7O/c21-19-18(20(28)25-15-4-6-22-7-5-15)26-17(13-24-19)14-2-1-3-16(12-14)27-10-8-23-9-11-27/h1-7,12-13,23H,8-11H2,(H2,21,24)(H,22,25,28)
InChIKeyWPRPIXQUMYDVHQ-UHFFFAOYSA-N
XLogP1.78
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-amino-6-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyrazine-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-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyrazine-2-carboxamide (CID 155541166) is 3-amino-6-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyrazine-2-carboxamide is Nc1ncc(-c2cccc(N3CCNCC3)c2)nc1C(=O)Nc1ccncc1.
What is the InChIKey of 3-amino-6-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyrazine-2-carboxamide?
The InChIKey is WPRPIXQUMYDVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c21-19-18(20(28)25-15-4-6-22-7-5-15)26-17(13-24-19)14-2-1-3-16(12-14)27-10-8-23-9-11-27/h1-7,12-13,23H,8-11H2,(H2,21,24)(H,22,25,28).
What are the key properties of 3-amino-6-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyrazine-2-carboxamide?
3-amino-6-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyrazine-2-carboxamide has a molecular weight of 375.44 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyrazine-2-carboxamide is sourced from PubChem (CID 155541166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).