N-(4-ethylphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide

C25H26N4O2 — CID 164524545

IUPACN-(4-ethylphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cncc(-c3ccc(C(=O)N4CCNCC4)cc3)c2)cc1
InChIInChI=1S/C25H26N4O2/c1-2-18-3-9-23(10-4-18)28-24(30)22-15-21(16-27-17-22)19-5-7-20(8-6-19)25(31)29-13-11-26-12-14-29/h3-10,15-17,26H,2,11-14H2,1H3,(H,28,30)
InChIKeyNNSKCKRNIHXTIN-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.61
Rot. Bonds5

About N-(4-ethylphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide

N-(4-ethylphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide (PubChem CID 164524545) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-(4-ethylphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
PubChem CID164524545
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-(4-ethylphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cncc(-c3ccc(C(=O)N4CCNCC4)cc3)c2)cc1
InChIInChI=1S/C25H26N4O2/c1-2-18-3-9-23(10-4-18)28-24(30)22-15-21(16-27-17-22)19-5-7-20(8-6-19)25(31)29-13-11-26-12-14-29/h3-10,15-17,26H,2,11-14H2,1H3,(H,28,30)
InChIKeyNNSKCKRNIHXTIN-UHFFFAOYSA-N
XLogP3.61
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-ethylphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]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-(4-ethylphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide (CID 164524545) is N-(4-ethylphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide is CCc1ccc(NC(=O)c2cncc(-c3ccc(C(=O)N4CCNCC4)cc3)c2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The InChIKey is NNSKCKRNIHXTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-2-18-3-9-23(10-4-18)28-24(30)22-15-21(16-27-17-22)19-5-7-20(8-6-19)25(31)29-13-11-26-12-14-29/h3-10,15-17,26H,2,11-14H2,1H3,(H,28,30).
What are the key properties of N-(4-ethylphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide?
N-(4-ethylphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 164524545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).