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

C25H27N5O4 — CID 155777003

IUPACN-[4-(hydroxycarbamoyl)phenyl]-5-(6-methoxyquinolin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCOc1ccc2nc(N3CCC4CN(C(=O)Nc5ccc(C(=O)NO)cc5)CC4C3)ccc2c1
InChIInChI=1S/C25H27N5O4/c1-34-21-7-8-22-17(12-21)4-9-23(27-22)29-11-10-18-13-30(15-19(18)14-29)25(32)26-20-5-2-16(3-6-20)24(31)28-33/h2-9,12,18-19,33H,10-11,13-15H2,1H3,(H,26,32)(H,28,31)
InChIKeyUDGJJEUPNMRPNC-UHFFFAOYSA-N
MW461.52 g/mol
LogP3.35
Rot. Bonds4

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

N-[4-(hydroxycarbamoyl)phenyl]-5-(6-methoxyquinolin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 155777003) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is N-[4-(hydroxycarbamoyl)phenyl]-5-(6-methoxyquinolin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxycarbamoyl)phenyl]-5-(6-methoxyquinolin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID155777003
Molecular FormulaC25H27N5O4
Molecular Weight461.52 g/mol
Exact Mass461.21
IUPAC NameN-[4-(hydroxycarbamoyl)phenyl]-5-(6-methoxyquinolin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCOc1ccc2nc(N3CCC4CN(C(=O)Nc5ccc(C(=O)NO)cc5)CC4C3)ccc2c1
InChIInChI=1S/C25H27N5O4/c1-34-21-7-8-22-17(12-21)4-9-23(27-22)29-11-10-18-13-30(15-19(18)14-29)25(32)26-20-5-2-16(3-6-20)24(31)28-33/h2-9,12,18-19,33H,10-11,13-15H2,1H3,(H,26,32)(H,28,31)
InChIKeyUDGJJEUPNMRPNC-UHFFFAOYSA-N
XLogP3.35
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-(hydroxycarbamoyl)phenyl]-5-(6-methoxyquinolin-2-yl)-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-(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
N-[4-(cyclopropanecarbonylamino)phenyl]-6-methoxyquinoline-2-carboxamide
CID 24601678
N-cyclopropyl-1-(6-methoxyquinolin-2-yl)azetidine-3-carboxamide
CID 171328605
ethyl 1-(6-methoxyquinolin-2-yl)piperidine-4-carboxylate
CID 141431671
N-[1-(6-methoxyquinolin-2-yl)piperidin-3-yl]methanesulfonamide
CID 163354804
2-[1-(6-methoxyquinolin-2-yl)piperidin-3-yl]oxyethanol
CID 133315183
N-cyclobutyl-2-[1-(6-methoxyquinolin-2-yl)piperidin-4-yl]acetamide
CID 172881536
[4-(6-methoxyquinolin-2-yl)morpholin-2-yl]-morpholin-4-ylmethanone
CID 163346353
6-methoxy-2-piperidin-1-ylquinoline
CID 143398989
(3R)-3-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 41036902
4-methoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide
CID 15987844
2-(4-cyclopropylpiperazin-1-yl)-6-methoxyquinoline;dihydrochloride
CID 11302721

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxycarbamoyl)phenyl]-5-(6-methoxyquinolin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of 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) is N-[4-(hydroxycarbamoyl)phenyl]-5-(6-methoxyquinolin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(hydroxycarbamoyl)phenyl]-5-(6-methoxyquinolin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(hydroxycarbamoyl)phenyl]-5-(6-methoxyquinolin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide is COc1ccc2nc(N3CCC4CN(C(=O)Nc5ccc(C(=O)NO)cc5)CC4C3)ccc2c1.
What is the InChIKey of N-[4-(hydroxycarbamoyl)phenyl]-5-(6-methoxyquinolin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is UDGJJEUPNMRPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4/c1-34-21-7-8-22-17(12-21)4-9-23(27-22)29-11-10-18-13-30(15-19(18)14-29)25(32)26-20-5-2-16(3-6-20)24(31)28-33/h2-9,12,18-19,33H,10-11,13-15H2,1H3,(H,26,32)(H,28,31).
What are the key properties of N-[4-(hydroxycarbamoyl)phenyl]-5-(6-methoxyquinolin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide?
N-[4-(hydroxycarbamoyl)phenyl]-5-(6-methoxyquinolin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxycarbamoyl)phenyl]-5-(6-methoxyquinolin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 155777003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).