N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide

C54H57Cl3N8O4 — CID 159898976

IUPACN-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCC(C(=O)N1CCN(c2ccc(C(=O)NCCc3cccc(Cl)c3)cn2)CC1)c1ccc(Cl)cc1.Cc1ccc(CC(=O)N2CCN(c3ccc(C(=O)NCCc4cccc(Cl)c4)cn3)CC2)cc1
InChIInChI=1S/C27H28Cl2N4O2.C27H29ClN4O2/c1-19(21-5-8-23(28)9-6-21)27(35)33-15-13-32(14-16-33)25-10-7-22(18-31-25)26(34)30-12-11-20-3-2-4-24(29)17-20;1-20-5-7-22(8-6-20)18-26(33)32-15-13-31(14-16-32)25-10-9-23(19-30-25)27(34)29-12-11-21-3-2-4-24(28)17-21/h2-10,17-19H,11-16H2,1H3,(H,30,34);2-10,17,19H,11-16,18H2,1H3,(H,29,34)
InChIKeyNVSAMMKEELJSDX-UHFFFAOYSA-N
MW988.46 g/mol
LogP8.72
Rot. Bonds14

About N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide

N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 159898976) has the molecular formula C54H57Cl3N8O4 and a molecular weight of 988.46 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide
PubChem CID159898976
Molecular FormulaC54H57Cl3N8O4
Molecular Weight988.46 g/mol
Exact Mass986.36
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCC(C(=O)N1CCN(c2ccc(C(=O)NCCc3cccc(Cl)c3)cn2)CC1)c1ccc(Cl)cc1.Cc1ccc(CC(=O)N2CCN(c3ccc(C(=O)NCCc4cccc(Cl)c4)cn3)CC2)cc1
InChIInChI=1S/C27H28Cl2N4O2.C27H29ClN4O2/c1-19(21-5-8-23(28)9-6-21)27(35)33-15-13-32(14-16-33)25-10-7-22(18-31-25)26(34)30-12-11-20-3-2-4-24(29)17-20;1-20-5-7-22(8-6-20)18-26(33)32-15-13-31(14-16-32)25-10-9-23(19-30-25)27(34)29-12-11-21-3-2-4-24(28)17-21/h2-10,17-19H,11-16H2,1H3,(H,30,34);2-10,17,19H,11-16,18H2,1H3,(H,29,34)
InChIKeyNVSAMMKEELJSDX-UHFFFAOYSA-N
XLogP8.72
TPSA131.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500988.46
LogP ≤ 58.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 68737824
N-[2-(3-chlorophenyl)ethyl]-6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide
CID 68738553
N-(2-methylbutyl)-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide
CID 68740844
6-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 68737482
6-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 68740615
6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 68740126
N-[2-(3-chlorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256254
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151896
6-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
CID 68737118
6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 24989747
6-[4-(2-phenylacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971614
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109153889

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide (CID 159898976) is N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide is CC(C(=O)N1CCN(c2ccc(C(=O)NCCc3cccc(Cl)c3)cn2)CC1)c1ccc(Cl)cc1.Cc1ccc(CC(=O)N2CCN(c3ccc(C(=O)NCCc4cccc(Cl)c4)cn3)CC2)cc1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is NVSAMMKEELJSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2N4O2.C27H29ClN4O2/c1-19(21-5-8-23(28)9-6-21)27(35)33-15-13-32(14-16-33)25-10-7-22(18-31-25)26(34)30-12-11-20-3-2-4-24(29)17-20;1-20-5-7-22(8-6-20)18-26(33)32-15-13-31(14-16-32)25-10-9-23(19-30-25)27(34)29-12-11-21-3-2-4-24(28)17-21/h2-10,17-19H,11-16H2,1H3,(H,30,34);2-10,17,19H,11-16,18H2,1H3,(H,29,34).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 988.46 g/mol, XLogP of 8.72, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 159898976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).