[2-(2-methylpropoxy)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone

C18H22N2O3 — CID 126808666

IUPAC[2-(2-methylpropoxy)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone
SMILESCC(C)COc1ncccc1C(=O)N1CCCc2occc2C1
InChIInChI=1S/C18H22N2O3/c1-13(2)12-23-17-15(5-3-8-19-17)18(21)20-9-4-6-16-14(11-20)7-10-22-16/h3,5,7-8,10,13H,4,6,9,11-12H2,1-2H3
InChIKeyIJDLHXUQJPLLBW-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.30
Rot. Bonds4

About [2-(2-methylpropoxy)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone

[2-(2-methylpropoxy)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone (PubChem CID 126808666) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is [2-(2-methylpropoxy)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone.

Molecular Properties

Compound Name[2-(2-methylpropoxy)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone
PubChem CID126808666
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name[2-(2-methylpropoxy)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone
SMILESCC(C)COc1ncccc1C(=O)N1CCCc2occc2C1
InChIInChI=1S/C18H22N2O3/c1-13(2)12-23-17-15(5-3-8-19-17)18(21)20-9-4-6-16-14(11-20)7-10-22-16/h3,5,7-8,10,13H,4,6,9,11-12H2,1-2H3
InChIKeyIJDLHXUQJPLLBW-UHFFFAOYSA-N
XLogP3.30
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(2-methylpropoxy)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone with MolForge

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Related Compounds

[2-(propan-2-ylamino)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone
CID 126808667
(3-hydroxypiperidin-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methanone
CID 110932062
N-methyl-N-[[1-[2-(2-methylpropoxy)pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 126798032
[2-(2-methylpropoxy)-3-pyridinyl]-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 126810773
[2-[2-(2-methylpropoxy)phenyl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 74244180
(2-methyl-4-phenyl-1,3-thiazol-5-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone
CID 166210041
N-(3-hydroxybutyl)-2-(2-methylpropoxy)pyridine-3-carboxamide
CID 111429038
(2-ethoxy-3-pyridinyl)-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone
CID 146043149
2-(2-methylpropoxy)pyridine-3-carbothioamide
CID 24705507
(2-ethoxy-3-pyridinyl)-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 92593260
2-(2-aminopropoxy)pyridine-3-carboxylic acid
CID 117096540
(2-ethoxy-3-pyridinyl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97192067

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropoxy)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone?
The IUPAC name of [2-(2-methylpropoxy)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone (CID 126808666) is [2-(2-methylpropoxy)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone.
What is the SMILES notation for [2-(2-methylpropoxy)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone?
The canonical SMILES for [2-(2-methylpropoxy)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone is CC(C)COc1ncccc1C(=O)N1CCCc2occc2C1.
What is the InChIKey of [2-(2-methylpropoxy)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone?
The InChIKey is IJDLHXUQJPLLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13(2)12-23-17-15(5-3-8-19-17)18(21)20-9-4-6-16-14(11-20)7-10-22-16/h3,5,7-8,10,13H,4,6,9,11-12H2,1-2H3.
What are the key properties of [2-(2-methylpropoxy)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone?
[2-(2-methylpropoxy)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone has a molecular weight of 314.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropoxy)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone is sourced from PubChem (CID 126808666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).