[6-(4-ethylanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone

C24H26N4O — CID 109159635

IUPAC[6-(4-ethylanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCc1ccc(Nc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cn2)cc1
InChIInChI=1S/C24H26N4O/c1-2-19-8-11-21(12-9-19)26-23-13-10-20(18-25-23)24(29)28-16-14-27(15-17-28)22-6-4-3-5-7-22/h3-13,18H,2,14-17H2,1H3,(H,25,26)
InChIKeyKLUPLHIZUPHTQT-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.35
Rot. Bonds5

About [6-(4-ethylanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone

[6-(4-ethylanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109159635) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is [6-(4-ethylanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(4-ethylanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109159635
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name[6-(4-ethylanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCc1ccc(Nc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cn2)cc1
InChIInChI=1S/C24H26N4O/c1-2-19-8-11-21(12-9-19)26-23-13-10-20(18-25-23)24(29)28-16-14-27(15-17-28)22-6-4-3-5-7-22/h3-13,18H,2,14-17H2,1H3,(H,25,26)
InChIKeyKLUPLHIZUPHTQT-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[6-(4-ethylanilino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109160325
[6-(3-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109159643
(4-methylpiperazin-1-yl)-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109154661
piperidin-1-yl-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109152366
[6-(3-methylanilino)-3-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109160392
(6-bromo-3-pyridinyl)-(4-phenylpiperazin-1-yl)methanone
CID 66464052
[6-(4-ethoxyanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109154844
[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261137
N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-2-iodobenzamide
CID 17358702
6-(4-ethylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158309
(2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone
CID 96588033
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 2988409

Frequently Asked Questions

What is the IUPAC name of [6-(4-ethylanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [6-(4-ethylanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (CID 109159635) is [6-(4-ethylanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(4-ethylanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(4-ethylanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is CCc1ccc(Nc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cn2)cc1.
What is the InChIKey of [6-(4-ethylanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is KLUPLHIZUPHTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-2-19-8-11-21(12-9-19)26-23-13-10-20(18-25-23)24(29)28-16-14-27(15-17-28)22-6-4-3-5-7-22/h3-13,18H,2,14-17H2,1H3,(H,25,26).
What are the key properties of [6-(4-ethylanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
[6-(4-ethylanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 386.50 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-ethylanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109159635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).