N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide

C26H25ClN6O — CID 59826576

IUPACN-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4cnc5ccccc5n4)c3)cn2)CC(C)N1
InChIInChI=1S/C26H25ClN6O/c1-16-14-33(15-17(2)30-16)25-10-7-18(12-29-25)26(34)31-19-8-9-21(27)20(11-19)24-13-28-22-5-3-4-6-23(22)32-24/h3-13,16-17,30H,14-15H2,1-2H3,(H,31,34)
InChIKeyFUGWVXKVPSGVHT-UHFFFAOYSA-N
MW472.98 g/mol
LogP4.78
Rot. Bonds4

About N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide

N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 59826576) has the molecular formula C26H25ClN6O and a molecular weight of 472.98 g/mol. Its IUPAC name is N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID59826576
Molecular FormulaC26H25ClN6O
Molecular Weight472.98 g/mol
Exact Mass472.18
IUPAC NameN-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4cnc5ccccc5n4)c3)cn2)CC(C)N1
InChIInChI=1S/C26H25ClN6O/c1-16-14-33(15-17(2)30-16)25-10-7-18(12-29-25)26(34)31-19-8-9-21(27)20(11-19)24-13-28-22-5-3-4-6-23(22)32-24/h3-13,16-17,30H,14-15H2,1-2H3,(H,31,34)
InChIKeyFUGWVXKVPSGVHT-UHFFFAOYSA-N
XLogP4.78
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.98
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-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 N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide (CID 59826576) is N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide is CC1CN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4cnc5ccccc5n4)c3)cn2)CC(C)N1.
What is the InChIKey of N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is FUGWVXKVPSGVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN6O/c1-16-14-33(15-17(2)30-16)25-10-7-18(12-29-25)26(34)31-19-8-9-21(27)20(11-19)24-13-28-22-5-3-4-6-23(22)32-24/h3-13,16-17,30H,14-15H2,1-2H3,(H,31,34).
What are the key properties of N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide?
N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 472.98 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 59826576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).