N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide

C24H26N4O — CID 71762286

IUPACN-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccc(-c4ccncc4)cc3)cc2)CC1
InChIInChI=1S/C24H26N4O/c1-2-27-15-17-28(18-16-27)23-9-7-22(8-10-23)26-24(29)21-5-3-19(4-6-21)20-11-13-25-14-12-20/h3-14H,2,15-18H2,1H3,(H,26,29)
InChIKeyRIFLCDPHPIHWOH-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.14
Rot. Bonds5

About N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide

N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide (PubChem CID 71762286) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide
PubChem CID71762286
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccc(-c4ccncc4)cc3)cc2)CC1
InChIInChI=1S/C24H26N4O/c1-2-27-15-17-28(18-16-27)23-9-7-22(8-10-23)26-24(29)21-5-3-19(4-6-21)20-11-13-25-14-12-20/h3-14H,2,15-18H2,1H3,(H,26,29)
InChIKeyRIFLCDPHPIHWOH-UHFFFAOYSA-N
XLogP4.14
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 58692597
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 17403633
2-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109168800
1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 171423296
N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756617
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 42239391
N-[4-(4-ethylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 1090054
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 37043367
N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 7341667
3-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide
CID 7340704
N-(3,4-dichlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230698

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide (CID 71762286) is N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide is CCN1CCN(c2ccc(NC(=O)c3ccc(-c4ccncc4)cc3)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide?
The InChIKey is RIFLCDPHPIHWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-2-27-15-17-28(18-16-27)23-9-7-22(8-10-23)26-24(29)21-5-3-19(4-6-21)20-11-13-25-14-12-20/h3-14H,2,15-18H2,1H3,(H,26,29).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide?
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide has a molecular weight of 386.50 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide is sourced from PubChem (CID 71762286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).