4-[(3-cyanophenyl)methoxyamino]-N-(9H-fluoren-9-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

C27H24N4O2 — CID 90943444

IUPAC4-[(3-cyanophenyl)methoxyamino]-N-(9H-fluoren-9-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESN#Cc1cccc(CONC2=CCN(C(=O)NC3c4ccccc4-c4ccccc43)CC2)c1
InChIInChI=1S/C27H24N4O2/c28-17-19-6-5-7-20(16-19)18-33-30-21-12-14-31(15-13-21)27(32)29-26-24-10-3-1-8-22(24)23-9-2-4-11-25(23)26/h1-12,16,26,30H,13-15,18H2,(H,29,32)
InChIKeyRIUQVCHLCGHFHO-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.65
Rot. Bonds5

About 4-[(3-cyanophenyl)methoxyamino]-N-(9H-fluoren-9-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

4-[(3-cyanophenyl)methoxyamino]-N-(9H-fluoren-9-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 90943444) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 4-[(3-cyanophenyl)methoxyamino]-N-(9H-fluoren-9-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-cyanophenyl)methoxyamino]-N-(9H-fluoren-9-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID90943444
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name4-[(3-cyanophenyl)methoxyamino]-N-(9H-fluoren-9-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESN#Cc1cccc(CONC2=CCN(C(=O)NC3c4ccccc4-c4ccccc43)CC2)c1
InChIInChI=1S/C27H24N4O2/c28-17-19-6-5-7-20(16-19)18-33-30-21-12-14-31(15-13-21)27(32)29-26-24-10-3-1-8-22(24)23-9-2-4-11-25(23)26/h1-12,16,26,30H,13-15,18H2,(H,29,32)
InChIKeyRIUQVCHLCGHFHO-UHFFFAOYSA-N
XLogP4.65
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[bis(4-fluorophenyl)methyl]-4-[(3-cyano-4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 91279073
4-[(3-cyanophenyl)methoxyimino]-N-(9H-fluoren-9-yl)piperidine-1-carboxamide
CID 57992621
N-benzhydryl-4-[(3-cyanophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 91226995

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyanophenyl)methoxyamino]-N-(9H-fluoren-9-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-[(3-cyanophenyl)methoxyamino]-N-(9H-fluoren-9-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 90943444) is 4-[(3-cyanophenyl)methoxyamino]-N-(9H-fluoren-9-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-[(3-cyanophenyl)methoxyamino]-N-(9H-fluoren-9-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-[(3-cyanophenyl)methoxyamino]-N-(9H-fluoren-9-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is N#Cc1cccc(CONC2=CCN(C(=O)NC3c4ccccc4-c4ccccc43)CC2)c1.
What is the InChIKey of 4-[(3-cyanophenyl)methoxyamino]-N-(9H-fluoren-9-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is RIUQVCHLCGHFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c28-17-19-6-5-7-20(16-19)18-33-30-21-12-14-31(15-13-21)27(32)29-26-24-10-3-1-8-22(24)23-9-2-4-11-25(23)26/h1-12,16,26,30H,13-15,18H2,(H,29,32).
What are the key properties of 4-[(3-cyanophenyl)methoxyamino]-N-(9H-fluoren-9-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
4-[(3-cyanophenyl)methoxyamino]-N-(9H-fluoren-9-yl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyanophenyl)methoxyamino]-N-(9H-fluoren-9-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 90943444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).