phenyl N-pyridin-3-ylcarbamate;N-pyridin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide

C36H31F3N6O4 — CID 66875899

IUPACphenyl N-pyridin-3-ylcarbamate;N-pyridin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1.O=C(Nc1cccnc1)Oc1ccccc1
InChIInChI=1S/C24H21F3N4O2.C12H10N2O2/c25-24(26,27)19-6-7-22(29-15-19)33-21-5-1-3-18(14-21)13-17-8-11-31(12-9-17)23(32)30-20-4-2-10-28-16-20;15-12(14-10-5-4-8-13-9-10)16-11-6-2-1-3-7-11/h1-7,10,13-16H,8-9,11-12H2,(H,30,32);1-9H,(H,14,15)
InChIKeyIIKVRZYSSDIOCZ-UHFFFAOYSA-N
MW668.68 g/mol
LogP8.69
Rot. Bonds6

About phenyl N-pyridin-3-ylcarbamate;N-pyridin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide

phenyl N-pyridin-3-ylcarbamate;N-pyridin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide (PubChem CID 66875899) has the molecular formula C36H31F3N6O4 and a molecular weight of 668.68 g/mol. Its IUPAC name is phenyl N-pyridin-3-ylcarbamate;N-pyridin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide.

Molecular Properties

Compound Namephenyl N-pyridin-3-ylcarbamate;N-pyridin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
PubChem CID66875899
Molecular FormulaC36H31F3N6O4
Molecular Weight668.68 g/mol
Exact Mass668.24
IUPAC Namephenyl N-pyridin-3-ylcarbamate;N-pyridin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1.O=C(Nc1cccnc1)Oc1ccccc1
InChIInChI=1S/C24H21F3N4O2.C12H10N2O2/c25-24(26,27)19-6-7-22(29-15-19)33-21-5-1-3-18(14-21)13-17-8-11-31(12-9-17)23(32)30-20-4-2-10-28-16-20;15-12(14-10-5-4-8-13-9-10)16-11-6-2-1-3-7-11/h1-7,10,13-16H,8-9,11-12H2,(H,30,32);1-9H,(H,14,15)
InChIKeyIIKVRZYSSDIOCZ-UHFFFAOYSA-N
XLogP8.69
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.68
LogP ≤ 58.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze phenyl N-pyridin-3-ylcarbamate;N-pyridin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phenyl N-pyridin-3-ylcarbamate;N-pyridin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The IUPAC name of phenyl N-pyridin-3-ylcarbamate;N-pyridin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide (CID 66875899) is phenyl N-pyridin-3-ylcarbamate;N-pyridin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide.
What is the SMILES notation for phenyl N-pyridin-3-ylcarbamate;N-pyridin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The canonical SMILES for phenyl N-pyridin-3-ylcarbamate;N-pyridin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide is O=C(Nc1cccnc1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1.O=C(Nc1cccnc1)Oc1ccccc1.
What is the InChIKey of phenyl N-pyridin-3-ylcarbamate;N-pyridin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The InChIKey is IIKVRZYSSDIOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O2.C12H10N2O2/c25-24(26,27)19-6-7-22(29-15-19)33-21-5-1-3-18(14-21)13-17-8-11-31(12-9-17)23(32)30-20-4-2-10-28-16-20;15-12(14-10-5-4-8-13-9-10)16-11-6-2-1-3-7-11/h1-7,10,13-16H,8-9,11-12H2,(H,30,32);1-9H,(H,14,15).
What are the key properties of phenyl N-pyridin-3-ylcarbamate;N-pyridin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
phenyl N-pyridin-3-ylcarbamate;N-pyridin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide has a molecular weight of 668.68 g/mol, XLogP of 8.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-pyridin-3-ylcarbamate;N-pyridin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide is sourced from PubChem (CID 66875899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).