(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)-(3-cyclopropyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone

C22H29N3O3 — CID 154855006

IUPAC(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)-(3-cyclopropyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone
SMILESCc1cc(C)c(C(=O)N2CCC3(CC2)CC(C2CC2)=NO3)c(OC2CCC2)n1
InChIInChI=1S/C22H29N3O3/c1-14-12-15(2)23-20(27-17-4-3-5-17)19(14)21(26)25-10-8-22(9-11-25)13-18(24-28-22)16-6-7-16/h12,16-17H,3-11,13H2,1-2H3
InChIKeyKYPMRNDZJADCBS-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.79
Rot. Bonds4

About (2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)-(3-cyclopropyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone

(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)-(3-cyclopropyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone (PubChem CID 154855006) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is (2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)-(3-cyclopropyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone.

Molecular Properties

Compound Name(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)-(3-cyclopropyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone
PubChem CID154855006
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)-(3-cyclopropyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone
SMILESCc1cc(C)c(C(=O)N2CCC3(CC2)CC(C2CC2)=NO3)c(OC2CCC2)n1
InChIInChI=1S/C22H29N3O3/c1-14-12-15(2)23-20(27-17-4-3-5-17)19(14)21(26)25-10-8-22(9-11-25)13-18(24-28-22)16-6-7-16/h12,16-17H,3-11,13H2,1-2H3
InChIKeyKYPMRNDZJADCBS-UHFFFAOYSA-N
XLogP3.79
TPSA64.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)-(3-cyclopropyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

4-[(3-Fluorophenyl)methyl]-8-methyl-2-propyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
CID 134786600
4-Benzyl-2-(methoxymethyl)-8-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
CID 134786577
4-(cyclopropylmethyl)-8-methylspiro[3H-pyrido[3,2-f][1,4]oxazepine-2,1'-cyclopentane]-5-one
CID 134787094
(2-Ethoxy-6-methyl-3-pyridinyl)-(3-propan-2-yloxyazetidin-1-yl)methanone
CID 126836845
2-[4-(2-Methoxy-6-methylpyridine-3-carbonyl)morpholin-3-yl]cyclopentan-1-one
CID 127944204
[2-(2,2-Difluoroethoxy)-6-propan-2-yl-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 168793574
[6-Propan-2-yl-2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 169922163
2-(1-Methylpiperidin-4-yl)oxy-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79876179
4-(2-Methoxyethyl)-8-methyl-2-(morpholin-4-ylmethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
CID 132452929
8-Methyl-2-(morpholin-4-ylmethyl)-4-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
CID 132453206
4-(Cyclopropylmethyl)-2,8-dimethyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
CID 132454941
8-Methyl-2-[(2-methylpropan-2-yl)oxymethyl]-4-(2-methylpropyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
CID 132458353

Frequently Asked Questions

What is the IUPAC name of (2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)-(3-cyclopropyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone?
The IUPAC name of (2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)-(3-cyclopropyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone (CID 154855006) is (2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)-(3-cyclopropyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone.
What is the SMILES notation for (2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)-(3-cyclopropyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone?
The canonical SMILES for (2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)-(3-cyclopropyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone is Cc1cc(C)c(C(=O)N2CCC3(CC2)CC(C2CC2)=NO3)c(OC2CCC2)n1.
What is the InChIKey of (2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)-(3-cyclopropyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone?
The InChIKey is KYPMRNDZJADCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-14-12-15(2)23-20(27-17-4-3-5-17)19(14)21(26)25-10-8-22(9-11-25)13-18(24-28-22)16-6-7-16/h12,16-17H,3-11,13H2,1-2H3.
What are the key properties of (2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)-(3-cyclopropyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone?
(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)-(3-cyclopropyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone has a molecular weight of 383.49 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)-(3-cyclopropyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone is sourced from PubChem (CID 154855006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).