(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-(5-methyl-2-pyridinyl)methanone

C13H17N3O — CID 134435081

IUPAC(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-(5-methyl-2-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2C3CC2CN(C)C3)nc1
InChIInChI=1S/C13H17N3O/c1-9-3-4-12(14-6-9)13(17)16-10-5-11(16)8-15(2)7-10/h3-4,6,10-11H,5,7-8H2,1-2H3
InChIKeyBFMVQMFPSAPPGU-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.92
Rot. Bonds1

About (3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-(5-methyl-2-pyridinyl)methanone

(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-(5-methyl-2-pyridinyl)methanone (PubChem CID 134435081) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-(5-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-(5-methyl-2-pyridinyl)methanone
PubChem CID134435081
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-(5-methyl-2-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2C3CC2CN(C)C3)nc1
InChIInChI=1S/C13H17N3O/c1-9-3-4-12(14-6-9)13(17)16-10-5-11(16)8-15(2)7-10/h3-4,6,10-11H,5,7-8H2,1-2H3
InChIKeyBFMVQMFPSAPPGU-UHFFFAOYSA-N
XLogP0.92
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-(5-methyl-2-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

aziridin-1-yl-(5-methyl-2-pyridinyl)methanone
CID 126996011
(4-methyl-1,4-diazepan-1-yl)-(5-methyl-2-pyridinyl)methanone
CID 97240980
ethane;methanol;1-(5-methylpyridine-2-carbonyl)azetidine-3-carbaldehyde
CID 142369524
(5-nitro-2-pyridinyl)-[(2S,6R)-2,4,6-trimethylpiperazin-1-yl]methanone
CID 97327495
(3,5-dimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-(5-phenyl-2-pyridinyl)methanone
CID 123521160
ethane;formic acid;(5-methyl-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 142369498
[6-(8-azabicyclo[3.2.1]octane-8-carbonyl)-3-pyridinyl]-(8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 127433450
[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methyl-2-pyridinyl)methanone
CID 131663252
sodium;hydride;5-methylpyridine-2-carboxylic acid
CID 173118814
sodium 5-methylpyridine-2-carboxylate
CID 23707755
5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-2-carboxamide
CID 145145571
(5-chloro-2-pyridinyl)-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone
CID 135087234

Frequently Asked Questions

What is the IUPAC name of (3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-(5-methyl-2-pyridinyl)methanone?
The IUPAC name of (3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-(5-methyl-2-pyridinyl)methanone (CID 134435081) is (3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-(5-methyl-2-pyridinyl)methanone.
What is the SMILES notation for (3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-(5-methyl-2-pyridinyl)methanone?
The canonical SMILES for (3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-(5-methyl-2-pyridinyl)methanone is Cc1ccc(C(=O)N2C3CC2CN(C)C3)nc1.
What is the InChIKey of (3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-(5-methyl-2-pyridinyl)methanone?
The InChIKey is BFMVQMFPSAPPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-3-4-12(14-6-9)13(17)16-10-5-11(16)8-15(2)7-10/h3-4,6,10-11H,5,7-8H2,1-2H3.
What are the key properties of (3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-(5-methyl-2-pyridinyl)methanone?
(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-(5-methyl-2-pyridinyl)methanone has a molecular weight of 231.30 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-(5-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 134435081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).