N-[bis(4-fluorophenyl)methyl]-4-[(3-cyano-4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide

C27H23F3N4O2 — CID 91279073

IUPACN-[bis(4-fluorophenyl)methyl]-4-[(3-cyano-4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESN#Cc1cc(CONC2=CCN(C(=O)NC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)ccc1F
InChIInChI=1S/C27H23F3N4O2/c28-22-6-2-19(3-7-22)26(20-4-8-23(29)9-5-20)32-27(35)34-13-11-24(12-14-34)33-36-17-18-1-10-25(30)21(15-18)16-31/h1-11,15,26,33H,12-14,17H2,(H,32,35)
InChIKeyVSGFINUIEVFTFJ-UHFFFAOYSA-N
MW492.50 g/mol
LogP5.09
Rot. Bonds7

About N-[bis(4-fluorophenyl)methyl]-4-[(3-cyano-4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide

N-[bis(4-fluorophenyl)methyl]-4-[(3-cyano-4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 91279073) has the molecular formula C27H23F3N4O2 and a molecular weight of 492.50 g/mol. Its IUPAC name is N-[bis(4-fluorophenyl)methyl]-4-[(3-cyano-4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[bis(4-fluorophenyl)methyl]-4-[(3-cyano-4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID91279073
Molecular FormulaC27H23F3N4O2
Molecular Weight492.50 g/mol
Exact Mass492.18
IUPAC NameN-[bis(4-fluorophenyl)methyl]-4-[(3-cyano-4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESN#Cc1cc(CONC2=CCN(C(=O)NC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)ccc1F
InChIInChI=1S/C27H23F3N4O2/c28-22-6-2-19(3-7-22)26(20-4-8-23(29)9-5-20)32-27(35)34-13-11-24(12-14-34)33-36-17-18-1-10-25(30)21(15-18)16-31/h1-11,15,26,33H,12-14,17H2,(H,32,35)
InChIKeyVSGFINUIEVFTFJ-UHFFFAOYSA-N
XLogP5.09
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.50
LogP ≤ 55.09
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

4-[(3-cyano-4-fluorophenyl)methoxyimino]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 57992689
4-[(3-cyano-4-fluorophenyl)methoxyimino]-N-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carboxamide
CID 57992746
N-[bis(4-fluorophenyl)methyl]-4-[(3-cyano-4-fluorophenyl)methoxyimino]piperidine-1-carboxamide
CID 87661389
5-[[[1-[4,4-bis(4-fluorophenyl)butanoyl]-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]-2-fluorobenzonitrile
CID 90712028
2-[4-[bis(4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]acetamide
CID 91148577
5-[[[1-[3,3-bis(4-fluorophenyl)prop-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]-2-fluorobenzonitrile
CID 91320530
5-[[[1-[3,3-bis(4-fluorophenyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]-2-fluorobenzonitrile
CID 91415686
5-[[[1-[bis(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]-2-fluorobenzonitrile
CID 91568399
N-benzhydryl-4-[(3-cyanophenyl)methoxyimino]piperidine-1-carboxamide
CID 57992662
N-benzhydryl-4-(benzhydryloxyamino)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 90790434
4-[(3-cyanophenyl)methoxyamino]-N-(9H-fluoren-9-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 90943444
N-benzhydryl-4-[(3-cyanophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 91226995

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-fluorophenyl)methyl]-4-[(3-cyano-4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-[bis(4-fluorophenyl)methyl]-4-[(3-cyano-4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 91279073) is N-[bis(4-fluorophenyl)methyl]-4-[(3-cyano-4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-[bis(4-fluorophenyl)methyl]-4-[(3-cyano-4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-[bis(4-fluorophenyl)methyl]-4-[(3-cyano-4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide is N#Cc1cc(CONC2=CCN(C(=O)NC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)ccc1F.
What is the InChIKey of N-[bis(4-fluorophenyl)methyl]-4-[(3-cyano-4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is VSGFINUIEVFTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N4O2/c28-22-6-2-19(3-7-22)26(20-4-8-23(29)9-5-20)32-27(35)34-13-11-24(12-14-34)33-36-17-18-1-10-25(30)21(15-18)16-31/h1-11,15,26,33H,12-14,17H2,(H,32,35).
What are the key properties of N-[bis(4-fluorophenyl)methyl]-4-[(3-cyano-4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide?
N-[bis(4-fluorophenyl)methyl]-4-[(3-cyano-4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 492.50 g/mol, XLogP of 5.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-fluorophenyl)methyl]-4-[(3-cyano-4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 91279073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).