5-(3-cyanophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide

C23H23N7O — CID 175321041

IUPAC5-(3-cyanophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide
SMILESCN1CCN(c2ccc(Nc3nc(-c4cccc(C#N)c4)cnc3C(N)=O)cc2)CC1
InChIInChI=1S/C23H23N7O/c1-29-9-11-30(12-10-29)19-7-5-18(6-8-19)27-23-21(22(25)31)26-15-20(28-23)17-4-2-3-16(13-17)14-24/h2-8,13,15H,9-12H2,1H3,(H2,25,31)(H,27,28)
InChIKeyYEVCHJLOCWCHRQ-UHFFFAOYSA-N
MW413.49 g/mol
LogP2.61
Rot. Bonds5

About 5-(3-cyanophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide

5-(3-cyanophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide (PubChem CID 175321041) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is 5-(3-cyanophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-cyanophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide
PubChem CID175321041
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name5-(3-cyanophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide
SMILESCN1CCN(c2ccc(Nc3nc(-c4cccc(C#N)c4)cnc3C(N)=O)cc2)CC1
InChIInChI=1S/C23H23N7O/c1-29-9-11-30(12-10-29)19-7-5-18(6-8-19)27-23-21(22(25)31)26-15-20(28-23)17-4-2-3-16(13-17)14-24/h2-8,13,15H,9-12H2,1H3,(H2,25,31)(H,27,28)
InChIKeyYEVCHJLOCWCHRQ-UHFFFAOYSA-N
XLogP2.61
TPSA111.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 5-(3-cyanophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]pyrazine-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

Related Compounds

5-bromo-3-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide
CID 70497264
3-[[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzonitrile
CID 112866956
5-chloro-3-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrazine-2-carboxamide
CID 88569768
5-chloro-3-[4-(4-methyl-1,4-azaborinan-1-yl)anilino]pyrazine-2-carboxamide
CID 87092140
3-chloro-4-cyclopropylbenzamide;3-[4-(4-methylpiperazin-1-yl)anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 145201115
5-(dimethylamino)-3-(4-piperazin-1-ylanilino)pyrazine-2-carboxamide
CID 167334977
2-[[5-cyano-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzamide;hydrochloride
CID 44526756
3-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]pyridine-2-carboxamide
CID 44526828
6-(4-cyanophenyl)-3-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide
CID 168769280
2-chloro-5-fluoro-6-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 57489643
3-[[4-methyl-6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-2-yl]amino]benzonitrile
CID 112931834
4-[[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzonitrile
CID 112866957

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyanophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide?
The IUPAC name of 5-(3-cyanophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide (CID 175321041) is 5-(3-cyanophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-cyanophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-cyanophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide is CN1CCN(c2ccc(Nc3nc(-c4cccc(C#N)c4)cnc3C(N)=O)cc2)CC1.
What is the InChIKey of 5-(3-cyanophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide?
The InChIKey is YEVCHJLOCWCHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-29-9-11-30(12-10-29)19-7-5-18(6-8-19)27-23-21(22(25)31)26-15-20(28-23)17-4-2-3-16(13-17)14-24/h2-8,13,15H,9-12H2,1H3,(H2,25,31)(H,27,28).
What are the key properties of 5-(3-cyanophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide?
5-(3-cyanophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide has a molecular weight of 413.49 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyanophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide is sourced from PubChem (CID 175321041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).