[2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C25H25N3O3 — CID 112803698

IUPAC[2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCCOc1ccc(Nc2ncccc2C(=O)N2CC=C(c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C25H25N3O3/c1-2-31-22-11-7-20(8-12-22)27-24-23(4-3-15-26-24)25(30)28-16-13-19(14-17-28)18-5-9-21(29)10-6-18/h3-13,15,29H,2,14,16-17H2,1H3,(H,26,27)
InChIKeySNYVLJGFTQCNEU-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.86
Rot. Bonds6

About [2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

[2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 112803698) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is [2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name[2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID112803698
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name[2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCCOc1ccc(Nc2ncccc2C(=O)N2CC=C(c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C25H25N3O3/c1-2-31-22-11-7-20(8-12-22)27-24-23(4-3-15-26-24)25(30)28-16-13-19(14-17-28)18-5-9-21(29)10-6-18/h3-13,15,29H,2,14,16-17H2,1H3,(H,26,27)
InChIKeySNYVLJGFTQCNEU-UHFFFAOYSA-N
XLogP4.86
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone with MolForge

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Related Compounds

[2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 112799406
[2-(4-ethoxyanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119543206
1-[4-[4-[2-(4-ethoxyanilino)pyridine-3-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 25361326
(3-anilinopyrrolidin-1-yl)-[2-(4-ethoxyanilino)-3-pyridinyl]methanone
CID 56533430
2-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
CID 12812828
N-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 18125160
N-(4-ethoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
CID 55350429
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methoxy-3-pyridinyl)-2-oxoacetamide
CID 75526158
4-(4-hydroxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 51077542
[2-(4-ethoxyanilino)-3-pyridinyl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 47092212
4-ethoxy-N-[2-(4-hydroxyanilino)-3-pyridinyl]benzenesulfonamide
CID 15294863
N-(4-aminocyclohexyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide
CID 119474998

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of [2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 112803698) is [2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for [2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for [2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is CCOc1ccc(Nc2ncccc2C(=O)N2CC=C(c3ccc(O)cc3)CC2)cc1.
What is the InChIKey of [2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is SNYVLJGFTQCNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-2-31-22-11-7-20(8-12-22)27-24-23(4-3-15-26-24)25(30)28-16-13-19(14-17-28)18-5-9-21(29)10-6-18/h3-13,15,29H,2,14,16-17H2,1H3,(H,26,27).
What are the key properties of [2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
[2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 415.49 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 112803698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).