(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-furo[3,2-c]pyridin-4-ylmethanone

C18H17N3O2 — CID 136552856

IUPAC(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-furo[3,2-c]pyridin-4-ylmethanone
SMILESCC1(C)CN(C(=O)c2nccc3occc23)C1c1cccnc1
InChIInChI=1S/C18H17N3O2/c1-18(2)11-21(16(18)12-4-3-7-19-10-12)17(22)15-13-6-9-23-14(13)5-8-20-15/h3-10,16H,11H2,1-2H3
InChIKeyDJJNZFYLNQZCDF-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.45
Rot. Bonds2

About (3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-furo[3,2-c]pyridin-4-ylmethanone

(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-furo[3,2-c]pyridin-4-ylmethanone (PubChem CID 136552856) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is (3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-furo[3,2-c]pyridin-4-ylmethanone.

Molecular Properties

Compound Name(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-furo[3,2-c]pyridin-4-ylmethanone
PubChem CID136552856
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-furo[3,2-c]pyridin-4-ylmethanone
SMILESCC1(C)CN(C(=O)c2nccc3occc23)C1c1cccnc1
InChIInChI=1S/C18H17N3O2/c1-18(2)11-21(16(18)12-4-3-7-19-10-12)17(22)15-13-6-9-23-14(13)5-8-20-15/h3-10,16H,11H2,1-2H3
InChIKeyDJJNZFYLNQZCDF-UHFFFAOYSA-N
XLogP3.45
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone
CID 166268676
2-cyclobutyl-1-(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-2-hydroxyethanone
CID 128591604
4-[[(3,3-dimethyl-2-pyridin-3-ylazetidine-1-carbonyl)amino]methyl]benzoic acid
CID 122020132
3,3-dimethyl-N-[(1R,2R)-2-methylsulfonylcyclohexyl]-2-pyridin-3-ylazetidine-1-carboxamide
CID 136582189
(3,3-dimethyl-2-thiophen-2-ylazetidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 139001482
3-(1,3,3-trimethylpyrrolidin-2-yl)pyridine
CID 13292849
(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 98005945
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 16744276
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)methanone
CID 126834615
(2-pyridin-3-ylpyrrolidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 136529691
tert-butyl 3-pyridin-3-yl-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 175918955
6-[(2R)-3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl]-9-ethylpurine
CID 124886979

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-furo[3,2-c]pyridin-4-ylmethanone?
The IUPAC name of (3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-furo[3,2-c]pyridin-4-ylmethanone (CID 136552856) is (3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-furo[3,2-c]pyridin-4-ylmethanone.
What is the SMILES notation for (3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-furo[3,2-c]pyridin-4-ylmethanone?
The canonical SMILES for (3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-furo[3,2-c]pyridin-4-ylmethanone is CC1(C)CN(C(=O)c2nccc3occc23)C1c1cccnc1.
What is the InChIKey of (3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-furo[3,2-c]pyridin-4-ylmethanone?
The InChIKey is DJJNZFYLNQZCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-18(2)11-21(16(18)12-4-3-7-19-10-12)17(22)15-13-6-9-23-14(13)5-8-20-15/h3-10,16H,11H2,1-2H3.
What are the key properties of (3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-furo[3,2-c]pyridin-4-ylmethanone?
(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-furo[3,2-c]pyridin-4-ylmethanone has a molecular weight of 307.35 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-furo[3,2-c]pyridin-4-ylmethanone is sourced from PubChem (CID 136552856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).