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

C58H54N14O4 — CID 146486614

IUPACN-(1-acetylpyrrolidin-3-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide;3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C1.CN1CC(NC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)CCC1=O
InChIInChI=1S/2C29H27N7O2/c1-18(37)36-12-7-21(17-36)34-29(38)23-5-8-30-16-26(23)33-22-14-24(28-25(15-22)31-9-10-32-28)20-4-3-19-6-11-35(2)27(19)13-20;1-35-12-8-18-3-4-19(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/h3-6,8-11,13-16,21,33H,7,12,17H2,1-2H3,(H,34,38);3-4,7-16,20,33H,5-6,17H2,1-2H3,(H,34,38)
InChIKeyYHSJJKHGZPFMEW-UHFFFAOYSA-N
MW1011.16 g/mol
LogP8.56
Rot. Bonds10

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

N-(1-acetylpyrrolidin-3-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]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 146486614) has the molecular formula C58H54N14O4 and a molecular weight of 1011.16 g/mol. Its IUPAC name is N-(1-acetylpyrrolidin-3-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide;3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpyrrolidin-3-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide;3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
PubChem CID146486614
Molecular FormulaC58H54N14O4
Molecular Weight1011.16 g/mol
Exact Mass1010.45
IUPAC NameN-(1-acetylpyrrolidin-3-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide;3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C1.CN1CC(NC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)CCC1=O
InChIInChI=1S/2C29H27N7O2/c1-18(37)36-12-7-21(17-36)34-29(38)23-5-8-30-16-26(23)33-22-14-24(28-25(15-22)31-9-10-32-28)20-4-3-19-6-11-35(2)27(19)13-20;1-35-12-8-18-3-4-19(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/h3-6,8-11,13-16,21,33H,7,12,17H2,1-2H3,(H,34,38);3-4,7-16,20,33H,5-6,17H2,1-2H3,(H,34,38)
InChIKeyYHSJJKHGZPFMEW-UHFFFAOYSA-N
XLogP8.56
TPSA210.08 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001011.16
LogP ≤ 58.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze N-(1-acetylpyrrolidin-3-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide;3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpyrrolidin-3-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide;3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of N-(1-acetylpyrrolidin-3-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide;3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide (CID 146486614) is N-(1-acetylpyrrolidin-3-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide;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 N-(1-acetylpyrrolidin-3-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide;3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(1-acetylpyrrolidin-3-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide;3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide is CC(=O)N1CCC(NC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C1.CN1CC(NC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)CCC1=O.
What is the InChIKey of N-(1-acetylpyrrolidin-3-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide;3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide?
The InChIKey is YHSJJKHGZPFMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H27N7O2/c1-18(37)36-12-7-21(17-36)34-29(38)23-5-8-30-16-26(23)33-22-14-24(28-25(15-22)31-9-10-32-28)20-4-3-19-6-11-35(2)27(19)13-20;1-35-12-8-18-3-4-19(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/h3-6,8-11,13-16,21,33H,7,12,17H2,1-2H3,(H,34,38);3-4,7-16,20,33H,5-6,17H2,1-2H3,(H,34,38).
What are the key properties of N-(1-acetylpyrrolidin-3-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide;3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide?
N-(1-acetylpyrrolidin-3-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]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 1011.16 g/mol, XLogP of 8.56, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpyrrolidin-3-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide;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 146486614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).