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

C20H25N3O2 — CID 109218137

IUPAC[4-(2-ethoxyanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCCOc1ccccc1Nc1ccnc(C(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C20H25N3O2/c1-3-25-19-9-5-4-8-17(19)22-16-10-11-21-18(13-16)20(24)23-12-6-7-15(2)14-23/h4-5,8-11,13,15H,3,6-7,12,14H2,1-2H3,(H,21,22)
InChIKeyKWZFBJFZHCZOEO-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.10
Rot. Bonds5

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

[4-(2-ethoxyanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109218137) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [4-(2-ethoxyanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(2-ethoxyanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109218137
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[4-(2-ethoxyanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCCOc1ccccc1Nc1ccnc(C(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C20H25N3O2/c1-3-25-19-9-5-4-8-17(19)22-16-10-11-21-18(13-16)20(24)23-12-6-7-15(2)14-23/h4-5,8-11,13,15H,3,6-7,12,14H2,1-2H3,(H,21,22)
InChIKeyKWZFBJFZHCZOEO-UHFFFAOYSA-N
XLogP4.10
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(2-ethoxyanilino)-2-pyridinyl]-(3-methylpiperidin-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

[4-(2-ethoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203739
[4-(2-ethoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204483
[2-(2-ethoxyanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264362
[4-(4-chloroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218123
ethyl 4-[[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]amino]piperidine-1-carboxylate
CID 109215872
N-(2-ethoxyphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109056550
[4-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218171
[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218172
[5-(2-ethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196331
(3-methylpiperidin-1-yl)-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109218161
[4-(2-bromoanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205215
(3-methylpiperidin-1-yl)-[6-(2-phenoxyanilino)pyrimidin-4-yl]methanone
CID 109355229

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-(2-ethoxyanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone (CID 109218137) is [4-(2-ethoxyanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(2-ethoxyanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(2-ethoxyanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone is CCOc1ccccc1Nc1ccnc(C(=O)N2CCCC(C)C2)c1.
What is the InChIKey of [4-(2-ethoxyanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is KWZFBJFZHCZOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-25-19-9-5-4-8-17(19)22-16-10-11-21-18(13-16)20(24)23-12-6-7-15(2)14-23/h4-5,8-11,13,15H,3,6-7,12,14H2,1-2H3,(H,21,22).
What are the key properties of [4-(2-ethoxyanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
[4-(2-ethoxyanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 339.44 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109218137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).