3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(2-oxopiperidin-4-yl)pyridine-4-carboxamide

C28H25N7O2 — CID 122690708

IUPAC3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(2-oxopiperidin-4-yl)pyridine-4-carboxamide
SMILESCn1ccc2ccc(-c3cc(Nc4cnccc4C(=O)NC4CCNC(=O)C4)cc4nccnc34)cc21
InChIInChI=1S/C28H25N7O2/c1-35-11-6-17-2-3-18(12-25(17)35)22-13-20(14-23-27(22)32-10-9-30-23)33-24-16-29-7-5-21(24)28(37)34-19-4-8-31-26(36)15-19/h2-3,5-7,9-14,16,19,33H,4,8,15H2,1H3,(H,31,36)(H,34,37)
InChIKeyXGCRBZXEACAZHB-UHFFFAOYSA-N
MW491.56 g/mol
LogP3.94
Rot. Bonds5

About 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(2-oxopiperidin-4-yl)pyridine-4-carboxamide

3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(2-oxopiperidin-4-yl)pyridine-4-carboxamide (PubChem CID 122690708) has the molecular formula C28H25N7O2 and a molecular weight of 491.56 g/mol. Its IUPAC name is 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(2-oxopiperidin-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(2-oxopiperidin-4-yl)pyridine-4-carboxamide
PubChem CID122690708
Molecular FormulaC28H25N7O2
Molecular Weight491.56 g/mol
Exact Mass491.21
IUPAC Name3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(2-oxopiperidin-4-yl)pyridine-4-carboxamide
SMILESCn1ccc2ccc(-c3cc(Nc4cnccc4C(=O)NC4CCNC(=O)C4)cc4nccnc34)cc21
InChIInChI=1S/C28H25N7O2/c1-35-11-6-17-2-3-18(12-25(17)35)22-13-20(14-23-27(22)32-10-9-30-23)33-24-16-29-7-5-21(24)28(37)34-19-4-8-31-26(36)15-19/h2-3,5-7,9-14,16,19,33H,4,8,15H2,1H3,(H,31,36)(H,34,37)
InChIKeyXGCRBZXEACAZHB-UHFFFAOYSA-N
XLogP3.94
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.56
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(2-oxopiperidin-4-yl)pyridine-4-carboxamide with MolForge

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Related Compounds

2-(2-Quinolin-3-ylpyridin-4-YL)-1,5,6,7-tetrahydro-4H-pyrrolo(3,2-C)pyridin-4-one
CID 10389239
indole-based 6-membered lactam, (R)-4a
CID 15604844
N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
CID 20925641
Indole-based 6-membered lactam, 4d
CID 44143549
3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-pyrimidin-5-yl-pyridine-4-carboxamide
CID 122689236
Phen-DC6
CID 124201739
1-Methyl-1H-pyrazolo[3,4-alpha]phenazine-10-carboxylic acid (2-dimethylamino-ethyl)-amide
CID 9946290
Pyrido[4,3-a]phenazine-11-carboxamide, N-[2-(dimethylamino)ethyl]-
CID 10154612
Quinoxaline-6-carboxylic acid [2-(2-methyl-1H-indol-3-yl)-ethyl]-amide
CID 23724399
Quinolinium, 4-((3-amino-4-(((3-amino-4-((1-methylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, diiodide
CID 3040967
indole-based 6-membered lactam, (S)-4a
CID 15604763
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-methylindole-3-carboxamide;hydrochloride
CID 70695517

Frequently Asked Questions

What is the IUPAC name of 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(2-oxopiperidin-4-yl)pyridine-4-carboxamide?
The IUPAC name of 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(2-oxopiperidin-4-yl)pyridine-4-carboxamide (CID 122690708) is 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(2-oxopiperidin-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(2-oxopiperidin-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(2-oxopiperidin-4-yl)pyridine-4-carboxamide is Cn1ccc2ccc(-c3cc(Nc4cnccc4C(=O)NC4CCNC(=O)C4)cc4nccnc34)cc21.
What is the InChIKey of 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(2-oxopiperidin-4-yl)pyridine-4-carboxamide?
The InChIKey is XGCRBZXEACAZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7O2/c1-35-11-6-17-2-3-18(12-25(17)35)22-13-20(14-23-27(22)32-10-9-30-23)33-24-16-29-7-5-21(24)28(37)34-19-4-8-31-26(36)15-19/h2-3,5-7,9-14,16,19,33H,4,8,15H2,1H3,(H,31,36)(H,34,37).
What are the key properties of 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(2-oxopiperidin-4-yl)pyridine-4-carboxamide?
3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(2-oxopiperidin-4-yl)pyridine-4-carboxamide has a molecular weight of 491.56 g/mol, XLogP of 3.94, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(2-oxopiperidin-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 122690708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).