[2-(3,4-dimethylanilino)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C21H25N3O3 — CID 109173972

IUPAC[2-(3,4-dimethylanilino)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCc1ccc(Nc2cc(C(=O)N3CCC4(CC3)OCCO4)ccn2)cc1C
InChIInChI=1S/C21H25N3O3/c1-15-3-4-18(13-16(15)2)23-19-14-17(5-8-22-19)20(25)24-9-6-21(7-10-24)26-11-12-27-21/h3-5,8,13-14H,6-7,9-12H2,1-2H3,(H,22,23)
InChIKeyOWIQZHYOAQMYBO-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.42
Rot. Bonds3

About [2-(3,4-dimethylanilino)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

[2-(3,4-dimethylanilino)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 109173972) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is [2-(3,4-dimethylanilino)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name[2-(3,4-dimethylanilino)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID109173972
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name[2-(3,4-dimethylanilino)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCc1ccc(Nc2cc(C(=O)N3CCC4(CC3)OCCO4)ccn2)cc1C
InChIInChI=1S/C21H25N3O3/c1-15-3-4-18(13-16(15)2)23-19-14-17(5-8-22-19)20(25)24-9-6-21(7-10-24)26-11-12-27-21/h3-5,8,13-14H,6-7,9-12H2,1-2H3,(H,22,23)
InChIKeyOWIQZHYOAQMYBO-UHFFFAOYSA-N
XLogP3.42
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(3,4-dimethylanilino)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone with MolForge

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Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-propan-2-ylanilino)-4-pyridinyl]methanone
CID 109173981
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(2-methylphenyl)methylamino]-4-pyridinyl]methanone
CID 109169691
methyl 2-[[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]amino]benzoate
CID 109174012
[2-(3-chloro-4-methylanilino)pyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109310037
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(quinolin-8-ylamino)-4-pyridinyl]methanone
CID 109174019
1-[4-[[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]amino]phenyl]ethanone
CID 109160080
azepan-1-yl-[2-(3-bromo-4-methylanilino)-4-pyridinyl]methanone
CID 109176020
[2-(4-bromo-3-methylanilino)-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166192
1-[4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]amino]phenyl]ethanone
CID 109215644
N-(3,4-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
CID 44902691
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methanone
CID 109173959
(4-amino-3-methylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 78983514

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylanilino)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of [2-(3,4-dimethylanilino)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 109173972) is [2-(3,4-dimethylanilino)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for [2-(3,4-dimethylanilino)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for [2-(3,4-dimethylanilino)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is Cc1ccc(Nc2cc(C(=O)N3CCC4(CC3)OCCO4)ccn2)cc1C.
What is the InChIKey of [2-(3,4-dimethylanilino)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is OWIQZHYOAQMYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-3-4-18(13-16(15)2)23-19-14-17(5-8-22-19)20(25)24-9-6-21(7-10-24)26-11-12-27-21/h3-5,8,13-14H,6-7,9-12H2,1-2H3,(H,22,23).
What are the key properties of [2-(3,4-dimethylanilino)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
[2-(3,4-dimethylanilino)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 367.45 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylanilino)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 109173972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).