3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide

C29H29N7O — CID 122690573

IUPAC3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
SMILESCN1CCC(NC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)CC1
InChIInChI=1S/C29H29N7O/c1-35-12-7-21(8-13-35)34-29(37)23-5-9-30-18-26(23)33-22-16-24(28-25(17-22)31-10-11-32-28)20-4-3-19-6-14-36(2)27(19)15-20/h3-6,9-11,14-18,21,33H,7-8,12-13H2,1-2H3,(H,34,37)
InChIKeySYNKNGKRJNDNAW-UHFFFAOYSA-N
MW491.60 g/mol
LogP4.75
Rot. Bonds5

About 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide

3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide (PubChem CID 122690573) has the molecular formula C29H29N7O and a molecular weight of 491.60 g/mol. Its IUPAC name is 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
PubChem CID122690573
Molecular FormulaC29H29N7O
Molecular Weight491.60 g/mol
Exact Mass491.24
IUPAC Name3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
SMILESCN1CCC(NC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)CC1
InChIInChI=1S/C29H29N7O/c1-35-12-7-21(8-13-35)34-29(37)23-5-9-30-18-26(23)33-22-16-24(28-25(17-22)31-10-11-32-28)20-4-3-19-6-14-36(2)27(19)15-20/h3-6,9-11,14-18,21,33H,7-8,12-13H2,1-2H3,(H,34,37)
InChIKeySYNKNGKRJNDNAW-UHFFFAOYSA-N
XLogP4.75
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-4-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-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide?
The IUPAC name of 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide (CID 122690573) is 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide is CN1CCC(NC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)CC1.
What is the InChIKey of 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide?
The InChIKey is SYNKNGKRJNDNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N7O/c1-35-12-7-21(8-13-35)34-29(37)23-5-9-30-18-26(23)33-22-16-24(28-25(17-22)31-10-11-32-28)20-4-3-19-6-14-36(2)27(19)15-20/h3-6,9-11,14-18,21,33H,7-8,12-13H2,1-2H3,(H,34,37).
What are the key properties of 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide?
3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide has a molecular weight of 491.60 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 122690573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).