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

C29H27N7O2 — CID 122690584

IUPAC3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
SMILESCN1CC(NC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)CCC1=O
InChIInChI=1S/C29H27N7O2/c1-35-12-8-18-3-4-19(13-26(18)35)23-14-21(15-24-28(23)32-11-10-31-24)33-25-16-30-9-7-22(25)29(38)34-20-5-6-27(37)36(2)17-20/h3-4,7-16,20,33H,5-6,17H2,1-2H3,(H,34,38)
InChIKeyIZTXVFPCPZWGQY-UHFFFAOYSA-N
MW505.58 g/mol
LogP4.28
Rot. Bonds5

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

3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide (PubChem CID 122690584) has the molecular formula C29H27N7O2 and a molecular weight of 505.58 g/mol. Its IUPAC name is 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
PubChem CID122690584
Molecular FormulaC29H27N7O2
Molecular Weight505.58 g/mol
Exact Mass505.22
IUPAC Name3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
SMILESCN1CC(NC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)CCC1=O
InChIInChI=1S/C29H27N7O2/c1-35-12-8-18-3-4-19(13-26(18)35)23-14-21(15-24-28(23)32-11-10-31-24)33-25-16-30-9-7-22(25)29(38)34-20-5-6-27(37)36(2)17-20/h3-4,7-16,20,33H,5-6,17H2,1-2H3,(H,34,38)
InChIKeyIZTXVFPCPZWGQY-UHFFFAOYSA-N
XLogP4.28
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.58
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide (CID 122690584) is 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide is CN1CC(NC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)CCC1=O.
What is the InChIKey of 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide?
The InChIKey is IZTXVFPCPZWGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7O2/c1-35-12-8-18-3-4-19(13-26(18)35)23-14-21(15-24-28(23)32-11-10-31-24)33-25-16-30-9-7-22(25)29(38)34-20-5-6-27(37)36(2)17-20/h3-4,7-16,20,33H,5-6,17H2,1-2H3,(H,34,38).
What are the key properties of 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide?
3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide has a molecular weight of 505.58 g/mol, XLogP of 4.28, 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-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 122690584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).