3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-2-oxopiperidin-4-yl)pyridine-4-carboxamide

C29H27N7O2 — CID 122690775

IUPAC3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-2-oxopiperidin-4-yl)pyridine-4-carboxamide
SMILESCN1CCC(NC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)CC1=O
InChIInChI=1S/C29H27N7O2/c1-35-11-6-18-3-4-19(13-26(18)35)23-14-21(15-24-28(23)32-10-9-31-24)33-25-17-30-8-5-22(25)29(38)34-20-7-12-36(2)27(37)16-20/h3-6,8-11,13-15,17,20,33H,7,12,16H2,1-2H3,(H,34,38)
InChIKeyMIXUMTKYLQJBNN-UHFFFAOYSA-N
MW505.58 g/mol
LogP4.28
Rot. Bonds5

About 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-2-oxopiperidin-4-yl)pyridine-4-carboxamide

3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-2-oxopiperidin-4-yl)pyridine-4-carboxamide (PubChem CID 122690775) 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-2-oxopiperidin-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-2-oxopiperidin-4-yl)pyridine-4-carboxamide
PubChem CID122690775
Molecular FormulaC29H27N7O2
Molecular Weight505.58 g/mol
Exact Mass505.22
IUPAC Name3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-2-oxopiperidin-4-yl)pyridine-4-carboxamide
SMILESCN1CCC(NC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)CC1=O
InChIInChI=1S/C29H27N7O2/c1-35-11-6-18-3-4-19(13-26(18)35)23-14-21(15-24-28(23)32-10-9-31-24)33-25-17-30-8-5-22(25)29(38)34-20-7-12-36(2)27(37)16-20/h3-6,8-11,13-15,17,20,33H,7,12,16H2,1-2H3,(H,34,38)
InChIKeyMIXUMTKYLQJBNN-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-2-oxopiperidin-4-yl)pyridine-4-carboxamide?
The IUPAC name of 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-2-oxopiperidin-4-yl)pyridine-4-carboxamide (CID 122690775) is 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-2-oxopiperidin-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-2-oxopiperidin-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-2-oxopiperidin-4-yl)pyridine-4-carboxamide is CN1CCC(NC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)CC1=O.
What is the InChIKey of 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-2-oxopiperidin-4-yl)pyridine-4-carboxamide?
The InChIKey is MIXUMTKYLQJBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7O2/c1-35-11-6-18-3-4-19(13-26(18)35)23-14-21(15-24-28(23)32-10-9-31-24)33-25-17-30-8-5-22(25)29(38)34-20-7-12-36(2)27(37)16-20/h3-6,8-11,13-15,17,20,33H,7,12,16H2,1-2H3,(H,34,38).
What are the key properties of 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-2-oxopiperidin-4-yl)pyridine-4-carboxamide?
3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-2-oxopiperidin-4-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-2-oxopiperidin-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 122690775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).