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

C27H25N7O — CID 122690707

IUPACN-(1-methylazetidin-3-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide
SMILESCN1CC(NC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C1
InChIInChI=1S/C27H25N7O/c1-33-15-20(16-33)32-27(35)21-5-7-28-14-24(21)31-19-12-22(26-23(13-19)29-8-9-30-26)18-4-3-17-6-10-34(2)25(17)11-18/h3-14,20,31H,15-16H2,1-2H3,(H,32,35)
InChIKeyLMGIIKZPOPCQNX-UHFFFAOYSA-N
MW463.55 g/mol
LogP3.97
Rot. Bonds5

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

N-(1-methylazetidin-3-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide (PubChem CID 122690707) has the molecular formula C27H25N7O and a molecular weight of 463.55 g/mol. Its IUPAC name is N-(1-methylazetidin-3-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methylazetidin-3-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide
PubChem CID122690707
Molecular FormulaC27H25N7O
Molecular Weight463.55 g/mol
Exact Mass463.21
IUPAC NameN-(1-methylazetidin-3-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide
SMILESCN1CC(NC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C1
InChIInChI=1S/C27H25N7O/c1-33-15-20(16-33)32-27(35)21-5-7-28-14-24(21)31-19-12-22(26-23(13-19)29-8-9-30-26)18-4-3-17-6-10-34(2)25(17)11-18/h3-14,20,31H,15-16H2,1-2H3,(H,32,35)
InChIKeyLMGIIKZPOPCQNX-UHFFFAOYSA-N
XLogP3.97
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 53.97
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-methylazetidin-3-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide?
The IUPAC name of N-(1-methylazetidin-3-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide (CID 122690707) is N-(1-methylazetidin-3-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-(1-methylazetidin-3-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide?
The canonical SMILES for N-(1-methylazetidin-3-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide is CN1CC(NC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C1.
What is the InChIKey of N-(1-methylazetidin-3-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide?
The InChIKey is LMGIIKZPOPCQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O/c1-33-15-20(16-33)32-27(35)21-5-7-28-14-24(21)31-19-12-22(26-23(13-19)29-8-9-30-26)18-4-3-17-6-10-34(2)25(17)11-18/h3-14,20,31H,15-16H2,1-2H3,(H,32,35).
What are the key properties of N-(1-methylazetidin-3-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide?
N-(1-methylazetidin-3-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide has a molecular weight of 463.55 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylazetidin-3-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide is sourced from PubChem (CID 122690707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).