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

C21H25N3O3 — CID 109215610

IUPAC[4-(2,3-dimethylanilino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCc1cccc(Nc2ccnc(C(=O)N3CCC4(CC3)OCCO4)c2)c1C
InChIInChI=1S/C21H25N3O3/c1-15-4-3-5-18(16(15)2)23-17-6-9-22-19(14-17)20(25)24-10-7-21(8-11-24)26-12-13-27-21/h3-6,9,14H,7-8,10-13H2,1-2H3,(H,22,23)
InChIKeyRLPNGIJXRDFNBO-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.42
Rot. Bonds3

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

[4-(2,3-dimethylanilino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 109215610) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is [4-(2,3-dimethylanilino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name[4-(2,3-dimethylanilino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID109215610
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name[4-(2,3-dimethylanilino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCc1cccc(Nc2ccnc(C(=O)N3CCC4(CC3)OCCO4)c2)c1C
InChIInChI=1S/C21H25N3O3/c1-15-4-3-5-18(16(15)2)23-17-6-9-22-19(14-17)20(25)24-10-7-21(8-11-24)26-12-13-27-21/h3-6,9,14H,7-8,10-13H2,1-2H3,(H,22,23)
InChIKeyRLPNGIJXRDFNBO-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 [4-(2,3-dimethylanilino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone with MolForge

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Related Compounds

1-[4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]amino]phenyl]ethanone
CID 109215644
methyl 4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]amino]benzoate
CID 109215649
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109088575
[5-(2,6-dimethylanilino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109193827
furan-2-yl-[4-[4-(2-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]methanone
CID 109216178
[2-(3-chloro-4-methylanilino)pyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109310037
N-(2,5-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide
CID 109088616
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(3-phenylpropylamino)-2-pyridinyl]methanone
CID 109215587
[2-(3,4-dimethylanilino)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109173972
N-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide
CID 109088600
1-[4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209061
N-cyclopentyl-4-(2,3-dimethylanilino)pyridine-2-carboxamide
CID 109204081

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylanilino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of [4-(2,3-dimethylanilino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 109215610) is [4-(2,3-dimethylanilino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for [4-(2,3-dimethylanilino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for [4-(2,3-dimethylanilino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is Cc1cccc(Nc2ccnc(C(=O)N3CCC4(CC3)OCCO4)c2)c1C.
What is the InChIKey of [4-(2,3-dimethylanilino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is RLPNGIJXRDFNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-4-3-5-18(16(15)2)23-17-6-9-22-19(14-17)20(25)24-10-7-21(8-11-24)26-12-13-27-21/h3-6,9,14H,7-8,10-13H2,1-2H3,(H,22,23).
What are the key properties of [4-(2,3-dimethylanilino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
[4-(2,3-dimethylanilino)-2-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 [4-(2,3-dimethylanilino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 109215610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).