N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-pyridin-3-ylacetamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide

C53H47F3N8O5 — CID 87727978

IUPACN-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-pyridin-3-ylacetamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)Cc1cccnc1.N#Cc1ccc(C2CCN(C(=O)c3ccc(OC(F)(F)F)c(NC(=O)c4ccncc4)c3)CC2)cc1
InChIInChI=1S/C27H26N4O2.C26H21F3N4O3/c1-19-4-7-24(16-25(19)30-26(32)15-21-3-2-12-29-18-21)27(33)31-13-10-23(11-14-31)22-8-5-20(17-28)6-9-22;27-26(28,29)36-23-6-5-21(15-22(23)32-24(34)20-7-11-31-12-8-20)25(35)33-13-9-19(10-14-33)18-3-1-17(16-30)2-4-18/h2-9,12,16,18,23H,10-11,13-15H2,1H3,(H,30,32);1-8,11-12,15,19H,9-10,13-14H2,(H,32,34)
InChIKeyNCRUQZGNAKDOIC-UHFFFAOYSA-N
MW933.00 g/mol
LogP9.59
Rot. Bonds10

About N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-pyridin-3-ylacetamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide

N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-pyridin-3-ylacetamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide (PubChem CID 87727978) has the molecular formula C53H47F3N8O5 and a molecular weight of 933.00 g/mol. Its IUPAC name is N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-pyridin-3-ylacetamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-pyridin-3-ylacetamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
PubChem CID87727978
Molecular FormulaC53H47F3N8O5
Molecular Weight933.00 g/mol
Exact Mass932.36
IUPAC NameN-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-pyridin-3-ylacetamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)Cc1cccnc1.N#Cc1ccc(C2CCN(C(=O)c3ccc(OC(F)(F)F)c(NC(=O)c4ccncc4)c3)CC2)cc1
InChIInChI=1S/C27H26N4O2.C26H21F3N4O3/c1-19-4-7-24(16-25(19)30-26(32)15-21-3-2-12-29-18-21)27(33)31-13-10-23(11-14-31)22-8-5-20(17-28)6-9-22;27-26(28,29)36-23-6-5-21(15-22(23)32-24(34)20-7-11-31-12-8-20)25(35)33-13-9-19(10-14-33)18-3-1-17(16-30)2-4-18/h2-9,12,16,18,23H,10-11,13-15H2,1H3,(H,30,32);1-8,11-12,15,19H,9-10,13-14H2,(H,32,34)
InChIKeyNCRUQZGNAKDOIC-UHFFFAOYSA-N
XLogP9.59
TPSA181.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500933.00
LogP ≤ 59.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-pyridin-3-ylacetamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-(trifluoromethoxy)phenyl]pyridine-4-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 N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-pyridin-3-ylacetamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-pyridin-3-ylacetamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide (CID 87727978) is N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-pyridin-3-ylacetamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-pyridin-3-ylacetamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-pyridin-3-ylacetamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide is Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)Cc1cccnc1.N#Cc1ccc(C2CCN(C(=O)c3ccc(OC(F)(F)F)c(NC(=O)c4ccncc4)c3)CC2)cc1.
What is the InChIKey of N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-pyridin-3-ylacetamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide?
The InChIKey is NCRUQZGNAKDOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2.C26H21F3N4O3/c1-19-4-7-24(16-25(19)30-26(32)15-21-3-2-12-29-18-21)27(33)31-13-10-23(11-14-31)22-8-5-20(17-28)6-9-22;27-26(28,29)36-23-6-5-21(15-22(23)32-24(34)20-7-11-31-12-8-20)25(35)33-13-9-19(10-14-33)18-3-1-17(16-30)2-4-18/h2-9,12,16,18,23H,10-11,13-15H2,1H3,(H,30,32);1-8,11-12,15,19H,9-10,13-14H2,(H,32,34).
What are the key properties of N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-pyridin-3-ylacetamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide?
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-pyridin-3-ylacetamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide has a molecular weight of 933.00 g/mol, XLogP of 9.59, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-pyridin-3-ylacetamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 87727978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).