[2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone

C24H26N4O3 — CID 112799406

IUPAC[2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
SMILESCCOc1ccc(Nc2ncccc2C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C24H26N4O3/c1-2-31-21-11-5-18(6-12-21)26-23-22(4-3-13-25-23)24(30)28-16-14-27(15-17-28)19-7-9-20(29)10-8-19/h3-13,29H,2,14-17H2,1H3,(H,25,26)
InChIKeyRQHGRRZAECQCBQ-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.89
Rot. Bonds6

About [2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone

[2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone (PubChem CID 112799406) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is [2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
PubChem CID112799406
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name[2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
SMILESCCOc1ccc(Nc2ncccc2C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C24H26N4O3/c1-2-31-21-11-5-18(6-12-21)26-23-22(4-3-13-25-23)24(30)28-16-14-27(15-17-28)19-7-9-20(29)10-8-19/h3-13,29H,2,14-17H2,1H3,(H,25,26)
InChIKeyRQHGRRZAECQCBQ-UHFFFAOYSA-N
XLogP3.89
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone 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

1-[4-[4-[2-(4-ethoxyanilino)pyridine-3-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 25361326
[2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 112803698
[2-(4-ethoxyanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119543206
(3-anilinopyrrolidin-1-yl)-[2-(4-ethoxyanilino)-3-pyridinyl]methanone
CID 56533430
2-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
CID 12812828
[2-(3-fluoroanilino)-3-pyridinyl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55955807
[2-(3-fluoroanilino)-3-pyridinyl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone
CID 166362766
(2-chloro-3-pyridinyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9159021
(2-anilino-3-pyridinyl)-morpholin-4-ylmethanone
CID 1440870
[4-(3-methoxyphenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 38602896
N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986398
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 2091587

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone (CID 112799406) is [2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone is CCOc1ccc(Nc2ncccc2C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1.
What is the InChIKey of [2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone?
The InChIKey is RQHGRRZAECQCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-2-31-21-11-5-18(6-12-21)26-23-22(4-3-13-25-23)24(30)28-16-14-27(15-17-28)19-7-9-20(29)10-8-19/h3-13,29H,2,14-17H2,1H3,(H,25,26).
What are the key properties of [2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone?
[2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone has a molecular weight of 418.50 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 112799406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).