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

C30H29N7O2 — CID 122690613

IUPACN-(1-acetylpiperidin-4-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)CC1
InChIInChI=1S/C30H29N7O2/c1-19(38)37-13-7-22(8-14-37)35-30(39)24-5-9-31-18-27(24)34-23-16-25(29-26(17-23)32-10-11-33-29)21-4-3-20-6-12-36(2)28(20)15-21/h3-6,9-12,15-18,22,34H,7-8,13-14H2,1-2H3,(H,35,39)
InChIKeyFGTHNUULFNFGSV-UHFFFAOYSA-N
MW519.61 g/mol
LogP4.67
Rot. Bonds5

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

N-(1-acetylpiperidin-4-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide (PubChem CID 122690613) has the molecular formula C30H29N7O2 and a molecular weight of 519.61 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide
PubChem CID122690613
Molecular FormulaC30H29N7O2
Molecular Weight519.61 g/mol
Exact Mass519.24
IUPAC NameN-(1-acetylpiperidin-4-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)CC1
InChIInChI=1S/C30H29N7O2/c1-19(38)37-13-7-22(8-14-37)35-30(39)24-5-9-31-18-27(24)34-23-16-25(29-26(17-23)32-10-11-33-29)21-4-3-20-6-12-36(2)28(20)15-21/h3-6,9-12,15-18,22,34H,7-8,13-14H2,1-2H3,(H,35,39)
InChIKeyFGTHNUULFNFGSV-UHFFFAOYSA-N
XLogP4.67
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.61
LogP ≤ 54.67
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 N-(1-acetylpiperidin-4-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide (CID 122690613) is N-(1-acetylpiperidin-4-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide is CC(=O)N1CCC(NC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide?
The InChIKey is FGTHNUULFNFGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N7O2/c1-19(38)37-13-7-22(8-14-37)35-30(39)24-5-9-31-18-27(24)34-23-16-25(29-26(17-23)32-10-11-33-29)21-4-3-20-6-12-36(2)28(20)15-21/h3-6,9-12,15-18,22,34H,7-8,13-14H2,1-2H3,(H,35,39).
What are the key properties of N-(1-acetylpiperidin-4-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide?
N-(1-acetylpiperidin-4-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide has a molecular weight of 519.61 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide is sourced from PubChem (CID 122690613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).