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

C29H29N7O — CID 122690782

IUPACN-methyl-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide
SMILESCN1CCC(N(C)C(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C1
InChIInChI=1S/C29H29N7O/c1-34-12-8-22(18-34)36(3)29(37)23-6-9-30-17-26(23)33-21-15-24(28-25(16-21)31-10-11-32-28)20-5-4-19-7-13-35(2)27(19)14-20/h4-7,9-11,13-17,22,33H,8,12,18H2,1-3H3
InChIKeyKPBHAJBXPUDHEZ-UHFFFAOYSA-N
MW491.60 g/mol
LogP4.70
Rot. Bonds5

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

N-methyl-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide (PubChem CID 122690782) has the molecular formula C29H29N7O and a molecular weight of 491.60 g/mol. Its IUPAC name is N-methyl-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide
PubChem CID122690782
Molecular FormulaC29H29N7O
Molecular Weight491.60 g/mol
Exact Mass491.24
IUPAC NameN-methyl-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide
SMILESCN1CCC(N(C)C(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C1
InChIInChI=1S/C29H29N7O/c1-34-12-8-22(18-34)36(3)29(37)23-6-9-30-17-26(23)33-21-15-24(28-25(16-21)31-10-11-32-28)20-5-4-19-7-13-35(2)27(19)14-20/h4-7,9-11,13-17,22,33H,8,12,18H2,1-3H3
InChIKeyKPBHAJBXPUDHEZ-UHFFFAOYSA-N
XLogP4.70
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 54.70
H-Bond Donors ≤ 51
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 N-methyl-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of N-methyl-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide (CID 122690782) is N-methyl-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for N-methyl-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide is CN1CCC(N(C)C(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C1.
What is the InChIKey of N-methyl-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide?
The InChIKey is KPBHAJBXPUDHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N7O/c1-34-12-8-22(18-34)36(3)29(37)23-6-9-30-17-26(23)33-21-15-24(28-25(16-21)31-10-11-32-28)20-5-4-19-7-13-35(2)27(19)14-20/h4-7,9-11,13-17,22,33H,8,12,18H2,1-3H3.
What are the key properties of N-methyl-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide?
N-methyl-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide has a molecular weight of 491.60 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 122690782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).