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

C21H25N3O3 — CID 109169691

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(2-methylphenyl)methylamino]-4-pyridinyl]methanone
SMILESCc1ccccc1CNc1cc(C(=O)N2CCC3(CC2)OCCO3)ccn1
InChIInChI=1S/C21H25N3O3/c1-16-4-2-3-5-18(16)15-23-19-14-17(6-9-22-19)20(25)24-10-7-21(8-11-24)26-12-13-27-21/h2-6,9,14H,7-8,10-13,15H2,1H3,(H,22,23)
InChIKeyIZUDTDKUDDFXSX-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.98
Rot. Bonds4

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

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(2-methylphenyl)methylamino]-4-pyridinyl]methanone (PubChem CID 109169691) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(2-methylphenyl)methylamino]-4-pyridinyl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(2-methylphenyl)methylamino]-4-pyridinyl]methanone
PubChem CID109169691
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(2-methylphenyl)methylamino]-4-pyridinyl]methanone
SMILESCc1ccccc1CNc1cc(C(=O)N2CCC3(CC2)OCCO3)ccn1
InChIInChI=1S/C21H25N3O3/c1-16-4-2-3-5-18(16)15-23-19-14-17(6-9-22-19)20(25)24-10-7-21(8-11-24)26-12-13-27-21/h2-6,9,14H,7-8,10-13,15H2,1H3,(H,22,23)
InChIKeyIZUDTDKUDDFXSX-UHFFFAOYSA-N
XLogP2.98
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]methanone
CID 109118019
[2-(3,4-dimethylanilino)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109173972
methyl 2-[[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]amino]benzoate
CID 109174012
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 112858912
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109088575
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[2-(3-methoxyphenyl)ethylamino]-4-pyridinyl]methanone
CID 109172902
N-[[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112531337
[2-[(3-chloro-2-methylphenyl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone
CID 134710185
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-propan-2-ylanilino)-4-pyridinyl]methanone
CID 109173981
1-[4-[2-[(2-methylphenyl)methylamino]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254606
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]methanone
CID 71841010
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109085941

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(2-methylphenyl)methylamino]-4-pyridinyl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(2-methylphenyl)methylamino]-4-pyridinyl]methanone (CID 109169691) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(2-methylphenyl)methylamino]-4-pyridinyl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(2-methylphenyl)methylamino]-4-pyridinyl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(2-methylphenyl)methylamino]-4-pyridinyl]methanone is Cc1ccccc1CNc1cc(C(=O)N2CCC3(CC2)OCCO3)ccn1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(2-methylphenyl)methylamino]-4-pyridinyl]methanone?
The InChIKey is IZUDTDKUDDFXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16-4-2-3-5-18(16)15-23-19-14-17(6-9-22-19)20(25)24-10-7-21(8-11-24)26-12-13-27-21/h2-6,9,14H,7-8,10-13,15H2,1H3,(H,22,23).
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(2-methylphenyl)methylamino]-4-pyridinyl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(2-methylphenyl)methylamino]-4-pyridinyl]methanone has a molecular weight of 367.45 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(2-methylphenyl)methylamino]-4-pyridinyl]methanone is sourced from PubChem (CID 109169691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).