azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone

C14H20N2O — CID 60924601

IUPACazepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCCCCC2)c(C)n1
InChIInChI=1S/C14H20N2O/c1-11-7-8-13(12(2)15-11)14(17)16-9-5-3-4-6-10-16/h7-8H,3-6,9-10H2,1-2H3
InChIKeyNOKRYLRSXRJQNG-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.71
Rot. Bonds1

About azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone

azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone (PubChem CID 60924601) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone
PubChem CID60924601
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Nameazepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCCCCC2)c(C)n1
InChIInChI=1S/C14H20N2O/c1-11-7-8-13(12(2)15-11)14(17)16-9-5-3-4-6-10-16/h7-8H,3-6,9-10H2,1-2H3
InChIKeyNOKRYLRSXRJQNG-UHFFFAOYSA-N
XLogP2.71
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6-chloro-2-methyl-3-pyridinyl)-piperidin-1-ylmethanone
CID 168678066
(2,6-dimethyl-3-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 71933483
(6-amino-2-methyl-3-pyridinyl)-pyrrolidin-1-ylmethanone
CID 134507879
(4-aminopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 62829888
(4-bromopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 80661867
azonan-1-yl-(2-methyl-6-propan-2-yl-3-pyridinyl)methanone
CID 154789120
(2,6-dimethyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 61060522
(2,6-dimethyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 61060891
[4-(1-bromoethyl)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone
CID 106839172
1-[4-(2,6-dimethylpyridine-3-carbonyl)-1,4-diazepan-1-yl]-2-(1-methylpyrrol-2-yl)ethane-1,2-dione
CID 134711726
(3-bromopyrrolidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 80677896
[3-(aminomethyl)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride
CID 119465061

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone?
The IUPAC name of azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone (CID 60924601) is azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone.
What is the SMILES notation for azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone?
The canonical SMILES for azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2CCCCCC2)c(C)n1.
What is the InChIKey of azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone?
The InChIKey is NOKRYLRSXRJQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-7-8-13(12(2)15-11)14(17)16-9-5-3-4-6-10-16/h7-8H,3-6,9-10H2,1-2H3.
What are the key properties of azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone?
azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone has a molecular weight of 232.33 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone is sourced from PubChem (CID 60924601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).