N-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide

C24H25ClN4O2S — CID 24989748

IUPACN-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCc1ccsc1C(=O)N1CCN(c2ccc(C(=O)NCCc3cccc(Cl)c3)cn2)CC1
InChIInChI=1S/C24H25ClN4O2S/c1-17-8-14-32-22(17)24(31)29-12-10-28(11-13-29)21-6-5-19(16-27-21)23(30)26-9-7-18-3-2-4-20(25)15-18/h2-6,8,14-16H,7,9-13H2,1H3,(H,26,30)
InChIKeyJEZGDBRNKHUJKU-UHFFFAOYSA-N
MW469.01 g/mol
LogP4.04
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide

N-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 24989748) has the molecular formula C24H25ClN4O2S and a molecular weight of 469.01 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID24989748
Molecular FormulaC24H25ClN4O2S
Molecular Weight469.01 g/mol
Exact Mass468.14
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCc1ccsc1C(=O)N1CCN(c2ccc(C(=O)NCCc3cccc(Cl)c3)cn2)CC1
InChIInChI=1S/C24H25ClN4O2S/c1-17-8-14-32-22(17)24(31)29-12-10-28(11-13-29)21-6-5-19(16-27-21)23(30)26-9-7-18-3-2-4-20(25)15-18/h2-6,8,14-16H,7,9-13H2,1H3,(H,26,30)
InChIKeyJEZGDBRNKHUJKU-UHFFFAOYSA-N
XLogP4.04
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.01
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)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

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide (CID 24989748) is N-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide is Cc1ccsc1C(=O)N1CCN(c2ccc(C(=O)NCCc3cccc(Cl)c3)cn2)CC1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is JEZGDBRNKHUJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2S/c1-17-8-14-32-22(17)24(31)29-12-10-28(11-13-29)21-6-5-19(16-27-21)23(30)26-9-7-18-3-2-4-20(25)15-18/h2-6,8,14-16H,7,9-13H2,1H3,(H,26,30).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 469.01 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 24989748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).