5-[6-(dimethylamino)quinoxalin-2-yl]-N-[4-(hydroxycarbamoyl)phenyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide

C25H29N7O3 — CID 155777024

IUPAC5-[6-(dimethylamino)quinoxalin-2-yl]-N-[4-(hydroxycarbamoyl)phenyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCN(C)c1ccc2nc(N3CCC4CN(C(=O)Nc5ccc(C(=O)NO)cc5)CC4C3)cnc2c1
InChIInChI=1S/C25H29N7O3/c1-30(2)20-7-8-21-22(11-20)26-12-23(28-21)31-10-9-17-13-32(15-18(17)14-31)25(34)27-19-5-3-16(4-6-19)24(33)29-35/h3-8,11-12,17-18,35H,9-10,13-15H2,1-2H3,(H,27,34)(H,29,33)
InChIKeyILLXGPMPEJCTHV-UHFFFAOYSA-N
MW475.55 g/mol
LogP2.81
Rot. Bonds4

About 5-[6-(dimethylamino)quinoxalin-2-yl]-N-[4-(hydroxycarbamoyl)phenyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide

5-[6-(dimethylamino)quinoxalin-2-yl]-N-[4-(hydroxycarbamoyl)phenyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 155777024) has the molecular formula C25H29N7O3 and a molecular weight of 475.55 g/mol. Its IUPAC name is 5-[6-(dimethylamino)quinoxalin-2-yl]-N-[4-(hydroxycarbamoyl)phenyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[6-(dimethylamino)quinoxalin-2-yl]-N-[4-(hydroxycarbamoyl)phenyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID155777024
Molecular FormulaC25H29N7O3
Molecular Weight475.55 g/mol
Exact Mass475.23
IUPAC Name5-[6-(dimethylamino)quinoxalin-2-yl]-N-[4-(hydroxycarbamoyl)phenyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCN(C)c1ccc2nc(N3CCC4CN(C(=O)Nc5ccc(C(=O)NO)cc5)CC4C3)cnc2c1
InChIInChI=1S/C25H29N7O3/c1-30(2)20-7-8-21-22(11-20)26-12-23(28-21)31-10-9-17-13-32(15-18(17)14-31)25(34)27-19-5-3-16(4-6-19)24(33)29-35/h3-8,11-12,17-18,35H,9-10,13-15H2,1-2H3,(H,27,34)(H,29,33)
InChIKeyILLXGPMPEJCTHV-UHFFFAOYSA-N
XLogP2.81
TPSA113.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[6-(dimethylamino)quinoxalin-2-yl]-N-[4-(hydroxycarbamoyl)phenyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide with MolForge

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Related Compounds

5-(6-bromoquinoxalin-2-yl)-N-[4-(hydroxycarbamoyl)phenyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide
CID 155777017
N-[4-(hydroxycarbamoyl)phenyl]-5-(6-methoxyquinolin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide
CID 155777003
N-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]quinoxalin-6-yl]-4-[3-(trifluoromethyl)phenyl]benzamide
CID 66551224
6-N-[1-(6-chloroquinoxalin-2-yl)pyrrolidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 171997536
tert-butyl 3-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octane-8-carboxylate
CID 67983619
4-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)quinoxalin-6-yl]benzamide
CID 142709338
2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid
CID 11683111
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxyquinoxaline-6-carboxamide
CID 162733709
bis(2-morpholin-4-ylquinoxalin-6-yl)methanone
CID 151491691
4-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 109150257
N-(6-chloro-3-pyridinyl)-3-cyclopropylpyrrolidine-1-carboxamide
CID 146084912
N-(1-quinoxalin-2-ylpiperidin-4-yl)benzamide
CID 33378138

Frequently Asked Questions

What is the IUPAC name of 5-[6-(dimethylamino)quinoxalin-2-yl]-N-[4-(hydroxycarbamoyl)phenyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of 5-[6-(dimethylamino)quinoxalin-2-yl]-N-[4-(hydroxycarbamoyl)phenyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide (CID 155777024) is 5-[6-(dimethylamino)quinoxalin-2-yl]-N-[4-(hydroxycarbamoyl)phenyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-[6-(dimethylamino)quinoxalin-2-yl]-N-[4-(hydroxycarbamoyl)phenyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for 5-[6-(dimethylamino)quinoxalin-2-yl]-N-[4-(hydroxycarbamoyl)phenyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide is CN(C)c1ccc2nc(N3CCC4CN(C(=O)Nc5ccc(C(=O)NO)cc5)CC4C3)cnc2c1.
What is the InChIKey of 5-[6-(dimethylamino)quinoxalin-2-yl]-N-[4-(hydroxycarbamoyl)phenyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is ILLXGPMPEJCTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O3/c1-30(2)20-7-8-21-22(11-20)26-12-23(28-21)31-10-9-17-13-32(15-18(17)14-31)25(34)27-19-5-3-16(4-6-19)24(33)29-35/h3-8,11-12,17-18,35H,9-10,13-15H2,1-2H3,(H,27,34)(H,29,33).
What are the key properties of 5-[6-(dimethylamino)quinoxalin-2-yl]-N-[4-(hydroxycarbamoyl)phenyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide?
5-[6-(dimethylamino)quinoxalin-2-yl]-N-[4-(hydroxycarbamoyl)phenyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(dimethylamino)quinoxalin-2-yl]-N-[4-(hydroxycarbamoyl)phenyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 155777024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).