N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide

C23H25N5O2 — CID 58692597

IUPACN-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3cc(-c4ccncc4)c[nH]c3=O)cc2)CC1
InChIInChI=1S/C23H25N5O2/c1-2-27-11-13-28(14-12-27)20-5-3-19(4-6-20)26-23(30)21-15-18(16-25-22(21)29)17-7-9-24-10-8-17/h3-10,15-16H,2,11-14H2,1H3,(H,25,29)(H,26,30)
InChIKeyQRPDGBJQTKYZLK-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.83
Rot. Bonds5

About N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide

N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide (PubChem CID 58692597) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide
PubChem CID58692597
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3cc(-c4ccncc4)c[nH]c3=O)cc2)CC1
InChIInChI=1S/C23H25N5O2/c1-2-27-11-13-28(14-12-27)20-5-3-19(4-6-20)26-23(30)21-15-18(16-25-22(21)29)17-7-9-24-10-8-17/h3-10,15-16H,2,11-14H2,1H3,(H,25,29)(H,26,30)
InChIKeyQRPDGBJQTKYZLK-UHFFFAOYSA-N
XLogP2.83
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-5-pyridin-4-yl-1H-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

N-[4-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 90261262
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide
CID 71762286
N-(4-methoxyphenyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 58692594
5-cyclopropyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazole-3-carboxamide
CID 37043755
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-hydroxy-5-methylbenzamide
CID 17403854
N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 7342466
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperazin-1-ylbenzamide
CID 58692652
N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 7341667
2-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109168800
5-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 2949855
N-(3-acetamidophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208668

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide (CID 58692597) is N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide is CCN1CCN(c2ccc(NC(=O)c3cc(-c4ccncc4)c[nH]c3=O)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide?
The InChIKey is QRPDGBJQTKYZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-2-27-11-13-28(14-12-27)20-5-3-19(4-6-20)26-23(30)21-15-18(16-25-22(21)29)17-7-9-24-10-8-17/h3-10,15-16H,2,11-14H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide?
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 58692597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).