(2-cyclopropyl-6-methyl-3-pyridinyl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone

C21H30N2O — CID 138058681

IUPAC(2-cyclopropyl-6-methyl-3-pyridinyl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(C)C3(CCCCC3)C2)c(C2CC2)n1
InChIInChI=1S/C21H30N2O/c1-15-10-13-23(14-21(15)11-4-3-5-12-21)20(24)18-9-6-16(2)22-19(18)17-7-8-17/h6,9,15,17H,3-5,7-8,10-14H2,1-2H3
InChIKeyFMFBSFQIBWHKQX-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.70
Rot. Bonds2

About (2-cyclopropyl-6-methyl-3-pyridinyl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone

(2-cyclopropyl-6-methyl-3-pyridinyl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone (PubChem CID 138058681) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is (2-cyclopropyl-6-methyl-3-pyridinyl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone.

Molecular Properties

Compound Name(2-cyclopropyl-6-methyl-3-pyridinyl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone
PubChem CID138058681
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name(2-cyclopropyl-6-methyl-3-pyridinyl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(C)C3(CCCCC3)C2)c(C2CC2)n1
InChIInChI=1S/C21H30N2O/c1-15-10-13-23(14-21(15)11-4-3-5-12-21)20(24)18-9-6-16(2)22-19(18)17-7-8-17/h6,9,15,17H,3-5,7-8,10-14H2,1-2H3
InChIKeyFMFBSFQIBWHKQX-UHFFFAOYSA-N
XLogP4.70
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-cyclopropyl-6-methyl-3-pyridinyl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone with MolForge

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Related Compounds

[(3S,4S)-3-cyclopentyl-4-hydroxypiperidin-1-yl]-(2-cyclopropyl-6-methyl-3-pyridinyl)methanone
CID 164629456
(4-methylphenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 46044756
5-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)pyridine-2-carboxylic acid
CID 120552932
(4-chlorophenyl)-[4-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42852078
cyclopentyl-[4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42867399
(3-fluorophenyl)-[4-[6-methyl-3-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42852061
[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46068543
6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 42851957
1-[4-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 42868116
[4-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]-(4-nitrophenyl)methanone
CID 42852080
2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 42851966
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[4-[6-methyl-3-(1,3-thiazolidine-3-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 3803524

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-6-methyl-3-pyridinyl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone?
The IUPAC name of (2-cyclopropyl-6-methyl-3-pyridinyl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone (CID 138058681) is (2-cyclopropyl-6-methyl-3-pyridinyl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone.
What is the SMILES notation for (2-cyclopropyl-6-methyl-3-pyridinyl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone?
The canonical SMILES for (2-cyclopropyl-6-methyl-3-pyridinyl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone is Cc1ccc(C(=O)N2CCC(C)C3(CCCCC3)C2)c(C2CC2)n1.
What is the InChIKey of (2-cyclopropyl-6-methyl-3-pyridinyl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone?
The InChIKey is FMFBSFQIBWHKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-15-10-13-23(14-21(15)11-4-3-5-12-21)20(24)18-9-6-16(2)22-19(18)17-7-8-17/h6,9,15,17H,3-5,7-8,10-14H2,1-2H3.
What are the key properties of (2-cyclopropyl-6-methyl-3-pyridinyl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone?
(2-cyclopropyl-6-methyl-3-pyridinyl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone has a molecular weight of 326.48 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-6-methyl-3-pyridinyl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone is sourced from PubChem (CID 138058681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).