N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-3-ylbenzamide

C24H26N4O — CID 71762285

IUPACN-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-3-ylbenzamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccc(-c4cccnc4)cc3)cc2)CC1
InChIInChI=1S/C24H26N4O/c1-2-27-14-16-28(17-15-27)23-11-9-22(10-12-23)26-24(29)20-7-5-19(6-8-20)21-4-3-13-25-18-21/h3-13,18H,2,14-17H2,1H3,(H,26,29)
InChIKeyJODWAKUMHSELQZ-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.14
Rot. Bonds5

About N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-3-ylbenzamide

N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-3-ylbenzamide (PubChem CID 71762285) 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-3-ylbenzamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-3-ylbenzamide
PubChem CID71762285
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-3-ylbenzamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccc(-c4cccnc4)cc3)cc2)CC1
InChIInChI=1S/C24H26N4O/c1-2-27-14-16-28(17-15-27)23-11-9-22(10-12-23)26-24(29)20-7-5-19(6-8-20)21-4-3-13-25-18-21/h3-13,18H,2,14-17H2,1H3,(H,26,29)
InChIKeyJODWAKUMHSELQZ-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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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-3-ylbenzamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-3-ylbenzamide (CID 71762285) is N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-3-ylbenzamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-3-ylbenzamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-3-ylbenzamide is CCN1CCN(c2ccc(NC(=O)c3ccc(-c4cccnc4)cc3)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-3-ylbenzamide?
The InChIKey is JODWAKUMHSELQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-2-27-14-16-28(17-15-27)23-11-9-22(10-12-23)26-24(29)20-7-5-19(6-8-20)21-4-3-13-25-18-21/h3-13,18H,2,14-17H2,1H3,(H,26,29).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-3-ylbenzamide?
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-3-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-3-ylbenzamide is sourced from PubChem (CID 71762285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).