3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen

C25H36N6O2 — CID 160987828

IUPAC3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
SMILESNc1ncc(-c2ccc(C(=O)NCCN3CCCCC3)cc2)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H28N6O2.4H2/c26-23-22(25(33)29-20-7-3-1-4-8-20)30-21(17-28-23)18-9-11-19(12-10-18)24(32)27-13-16-31-14-5-2-6-15-31;;;;/h1,3-4,7-12,17H,2,5-6,13-16H2,(H2,26,28)(H,27,32)(H,29,33);4*1H
InChIKeyTUFDUEOOJKVILY-UHFFFAOYSA-N
MW452.60 g/mol
LogP4.18
Rot. Bonds7

About 3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen

3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen (PubChem CID 160987828) has the molecular formula C25H36N6O2 and a molecular weight of 452.60 g/mol. Its IUPAC name is 3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
PubChem CID160987828
Molecular FormulaC25H36N6O2
Molecular Weight452.60 g/mol
Exact Mass452.29
IUPAC Name3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
SMILESNc1ncc(-c2ccc(C(=O)NCCN3CCCCC3)cc2)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H28N6O2.4H2/c26-23-22(25(33)29-20-7-3-1-4-8-20)30-21(17-28-23)18-9-11-19(12-10-18)24(32)27-13-16-31-14-5-2-6-15-31;;;;/h1,3-4,7-12,17H,2,5-6,13-16H2,(H2,26,28)(H,27,32)(H,29,33);4*1H
InChIKeyTUFDUEOOJKVILY-UHFFFAOYSA-N
XLogP4.18
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen 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

3-amino-6-[4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10277124
3-amino-6-[4-(methylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 52937456
6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide
CID 59472127
3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen
CID 159487418
3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471893
3-amino-6-[4-(oxan-4-ylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471720
3-amino-6-[4-[2-[4-(diethylamino)piperidin-1-yl]ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide
CID 130228785
3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide
CID 59471810
3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen
CID 158114259
3-amino-6-[4-(dipropylamino)phenyl]-N-phenylpyrazine-2-carboxamide
CID 163610371
3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471661
3-amino-N-phenyl-6-[4-(pyrrolidine-1-carbonyl)cyclohexa-1,3-dien-1-yl]pyrazine-2-carboxamide
CID 70883129

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen?
The IUPAC name of 3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen (CID 160987828) is 3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen?
The canonical SMILES for 3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen is Nc1ncc(-c2ccc(C(=O)NCCN3CCCCC3)cc2)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen?
The InChIKey is TUFDUEOOJKVILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2.4H2/c26-23-22(25(33)29-20-7-3-1-4-8-20)30-21(17-28-23)18-9-11-19(12-10-18)24(32)27-13-16-31-14-5-2-6-15-31;;;;/h1,3-4,7-12,17H,2,5-6,13-16H2,(H2,26,28)(H,27,32)(H,29,33);4*1H.
What are the key properties of 3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen?
3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen has a molecular weight of 452.60 g/mol, XLogP of 4.18, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 160987828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).