[5-[(2-chlorophenyl)methylamino]-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C20H22ClN3O3 — CID 109233896

IUPAC[5-[(2-chlorophenyl)methylamino]-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1cncc(NCc2ccccc2Cl)c1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C20H22ClN3O3/c21-18-4-2-1-3-15(18)13-23-17-11-16(12-22-14-17)19(25)24-7-5-20(6-8-24)26-9-10-27-20/h1-4,11-12,14,23H,5-10,13H2
InChIKeyMAVDCDYSLORALP-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.33
Rot. Bonds4

About [5-[(2-chlorophenyl)methylamino]-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

[5-[(2-chlorophenyl)methylamino]-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 109233896) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is [5-[(2-chlorophenyl)methylamino]-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name[5-[(2-chlorophenyl)methylamino]-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID109233896
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name[5-[(2-chlorophenyl)methylamino]-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1cncc(NCc2ccccc2Cl)c1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C20H22ClN3O3/c21-18-4-2-1-3-15(18)13-23-17-11-16(12-22-14-17)19(25)24-7-5-20(6-8-24)26-9-10-27-20/h1-4,11-12,14,23H,5-10,13H2
InChIKeyMAVDCDYSLORALP-UHFFFAOYSA-N
XLogP3.33
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-[(2-chlorophenyl)methylamino]-3-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-[5-(1-phenylethylamino)-3-pyridinyl]methanone
CID 109232907
5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109105514
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(oxolan-2-ylmethylamino)-3-pyridinyl]methanone
CID 109228952
1-[4-[5-[(2-fluorophenyl)methylamino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231026
azepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone
CID 109231844
1-[4-[5-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231029
N-[(2-chlorophenyl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 3851823
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(2-methylphenyl)methylamino]-4-pyridinyl]methanone
CID 109169691
(4-ethylpiperazin-1-yl)-[5-[(2-fluorophenyl)methylamino]-3-pyridinyl]methanone
CID 109230420
5-[(2-chlorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228749
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]methanone
CID 109237999
[5-(benzylamino)-3-pyridinyl]-(4-benzylpiperazin-1-yl)methanone
CID 109231814

Frequently Asked Questions

What is the IUPAC name of [5-[(2-chlorophenyl)methylamino]-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of [5-[(2-chlorophenyl)methylamino]-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 109233896) is [5-[(2-chlorophenyl)methylamino]-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for [5-[(2-chlorophenyl)methylamino]-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for [5-[(2-chlorophenyl)methylamino]-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is O=C(c1cncc(NCc2ccccc2Cl)c1)N1CCC2(CC1)OCCO2.
What is the InChIKey of [5-[(2-chlorophenyl)methylamino]-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is MAVDCDYSLORALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c21-18-4-2-1-3-15(18)13-23-17-11-16(12-22-14-17)19(25)24-7-5-20(6-8-24)26-9-10-27-20/h1-4,11-12,14,23H,5-10,13H2.
What are the key properties of [5-[(2-chlorophenyl)methylamino]-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
[5-[(2-chlorophenyl)methylamino]-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 387.87 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-chlorophenyl)methylamino]-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 109233896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).