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

C24H20N6O — CID 122690699

IUPACN-methyl-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide
SMILESCNC(=O)c1ccncc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1
InChIInChI=1S/C24H20N6O/c1-25-24(31)18-5-7-26-14-21(18)29-17-12-19(23-20(13-17)27-8-9-28-23)16-4-3-15-6-10-30(2)22(15)11-16/h3-14,29H,1-2H3,(H,25,31)
InChIKeyMCBLLPDUYDRZBU-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.29
Rot. Bonds4

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

N-methyl-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide (PubChem CID 122690699) has the molecular formula C24H20N6O and a molecular weight of 408.47 g/mol. Its IUPAC name is N-methyl-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide
PubChem CID122690699
Molecular FormulaC24H20N6O
Molecular Weight408.47 g/mol
Exact Mass408.17
IUPAC NameN-methyl-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide
SMILESCNC(=O)c1ccncc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1
InChIInChI=1S/C24H20N6O/c1-25-24(31)18-5-7-26-14-21(18)29-17-12-19(23-20(13-17)27-8-9-28-23)16-4-3-15-6-10-30(2)22(15)11-16/h3-14,29H,1-2H3,(H,25,31)
InChIKeyMCBLLPDUYDRZBU-UHFFFAOYSA-N
XLogP4.29
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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]pyridine-4-carboxamide?
The IUPAC name of N-methyl-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide (CID 122690699) is N-methyl-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide?
The canonical SMILES for N-methyl-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide is CNC(=O)c1ccncc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1.
What is the InChIKey of N-methyl-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide?
The InChIKey is MCBLLPDUYDRZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O/c1-25-24(31)18-5-7-26-14-21(18)29-17-12-19(23-20(13-17)27-8-9-28-23)16-4-3-15-6-10-30(2)22(15)11-16/h3-14,29H,1-2H3,(H,25,31).
What are the key properties of N-methyl-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide?
N-methyl-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide has a molecular weight of 408.47 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide is sourced from PubChem (CID 122690699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).