[2-(4-ethoxyanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride

C21H30Cl2N4O2 — CID 119543206

IUPAC[2-(4-ethoxyanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
SMILESCCOc1ccc(Nc2ncccc2C(=O)N2CCC(CNC)CC2)cc1.Cl.Cl
InChIInChI=1S/C21H28N4O2.2ClH/c1-3-27-18-8-6-17(7-9-18)24-20-19(5-4-12-23-20)21(26)25-13-10-16(11-14-25)15-22-2;;/h4-9,12,16,22H,3,10-11,13-15H2,1-2H3,(H,23,24);2*1H
InChIKeyVCZVEGWFJRMWIL-UHFFFAOYSA-N
MW441.40 g/mol
LogP4.14
Rot. Bonds7

About [2-(4-ethoxyanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride

[2-(4-ethoxyanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride (PubChem CID 119543206) has the molecular formula C21H30Cl2N4O2 and a molecular weight of 441.40 g/mol. Its IUPAC name is [2-(4-ethoxyanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(4-ethoxyanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
PubChem CID119543206
Molecular FormulaC21H30Cl2N4O2
Molecular Weight441.40 g/mol
Exact Mass440.17
IUPAC Name[2-(4-ethoxyanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
SMILESCCOc1ccc(Nc2ncccc2C(=O)N2CCC(CNC)CC2)cc1.Cl.Cl
InChIInChI=1S/C21H28N4O2.2ClH/c1-3-27-18-8-6-17(7-9-18)24-20-19(5-4-12-23-20)21(26)25-13-10-16(11-14-25)15-22-2;;/h4-9,12,16,22H,3,10-11,13-15H2,1-2H3,(H,23,24);2*1H
InChIKeyVCZVEGWFJRMWIL-UHFFFAOYSA-N
XLogP4.14
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.40
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(4-ethoxyanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride 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

(3-anilinopyrrolidin-1-yl)-[2-(4-ethoxyanilino)-3-pyridinyl]methanone
CID 56533430
[4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone;hydrochloride
CID 119543139
[2-(2-fluoroanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119542627
[2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 112799406
1-[4-[4-[2-(4-ethoxyanilino)pyridine-3-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 25361326
[4-(methylaminomethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride
CID 119545764
2-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
CID 12812828
[2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125146750
[2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 112803698
N-(4-aminocyclohexyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide
CID 119474998
[4-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 62185539
(4-ethoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 55168284

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
The IUPAC name of [2-(4-ethoxyanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride (CID 119543206) is [2-(4-ethoxyanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for [2-(4-ethoxyanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for [2-(4-ethoxyanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride is CCOc1ccc(Nc2ncccc2C(=O)N2CCC(CNC)CC2)cc1.Cl.Cl.
What is the InChIKey of [2-(4-ethoxyanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
The InChIKey is VCZVEGWFJRMWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2.2ClH/c1-3-27-18-8-6-17(7-9-18)24-20-19(5-4-12-23-20)21(26)25-13-10-16(11-14-25)15-22-2;;/h4-9,12,16,22H,3,10-11,13-15H2,1-2H3,(H,23,24);2*1H.
What are the key properties of [2-(4-ethoxyanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
[2-(4-ethoxyanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride has a molecular weight of 441.40 g/mol, XLogP of 4.14, 7 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-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119543206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).