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

C24H24N4O3 — CID 164524457

IUPACN-(4-methoxyphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(-c3ccc(C(=O)N4CCNCC4)cc3)c2)cc1
InChIInChI=1S/C24H24N4O3/c1-31-22-8-6-21(7-9-22)27-23(29)20-14-19(15-26-16-20)17-2-4-18(5-3-17)24(30)28-12-10-25-11-13-28/h2-9,14-16,25H,10-13H2,1H3,(H,27,29)
InChIKeyQJDYODCSGWMEKP-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.05
Rot. Bonds5

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

N-(4-methoxyphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide (PubChem CID 164524457) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
PubChem CID164524457
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-(4-methoxyphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(-c3ccc(C(=O)N4CCNCC4)cc3)c2)cc1
InChIInChI=1S/C24H24N4O3/c1-31-22-8-6-21(7-9-22)27-23(29)20-14-19(15-26-16-20)17-2-4-18(5-3-17)24(30)28-12-10-25-11-13-28/h2-9,14-16,25H,10-13H2,1H3,(H,27,29)
InChIKeyQJDYODCSGWMEKP-UHFFFAOYSA-N
XLogP3.05
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-methoxyphenyl)-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-methoxyphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide (CID 164524457) is N-(4-methoxyphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide is COc1ccc(NC(=O)c2cncc(-c3ccc(C(=O)N4CCNCC4)cc3)c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The InChIKey is QJDYODCSGWMEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-31-22-8-6-21(7-9-22)27-23(29)20-14-19(15-26-16-20)17-2-4-18(5-3-17)24(30)28-12-10-25-11-13-28/h2-9,14-16,25H,10-13H2,1H3,(H,27,29).
What are the key properties of N-(4-methoxyphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide?
N-(4-methoxyphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 164524457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).