(4-chloro-6-methyl-3-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone

C14H19ClN2O2 — CID 114217672

IUPAC(4-chloro-6-methyl-3-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone
SMILESCCC1CN(C(=O)c2cnc(C)cc2Cl)CCCO1
InChIInChI=1S/C14H19ClN2O2/c1-3-11-9-17(5-4-6-19-11)14(18)12-8-16-10(2)7-13(12)15/h7-8,11H,3-6,9H2,1-2H3
InChIKeyGNXZFVNYSJGVLS-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.68
Rot. Bonds2

About (4-chloro-6-methyl-3-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone

(4-chloro-6-methyl-3-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone (PubChem CID 114217672) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (4-chloro-6-methyl-3-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name(4-chloro-6-methyl-3-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone
PubChem CID114217672
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name(4-chloro-6-methyl-3-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone
SMILESCCC1CN(C(=O)c2cnc(C)cc2Cl)CCCO1
InChIInChI=1S/C14H19ClN2O2/c1-3-11-9-17(5-4-6-19-11)14(18)12-8-16-10(2)7-13(12)15/h7-8,11H,3-6,9H2,1-2H3
InChIKeyGNXZFVNYSJGVLS-UHFFFAOYSA-N
XLogP2.68
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-chloro-6-methyl-3-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone with MolForge

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Related Compounds

(4-chloro-6-methyl-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone
CID 103878889
methyl (3S)-1-(4-chloro-6-methylpyridine-3-carbonyl)piperidine-3-carboxylate
CID 103893902
(4-chloro-6-methyl-3-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone
CID 103863071
(4-chloro-6-methyl-3-pyridinyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112624918
(4-chloro-6-methyl-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 81227303
N-[1-(4-chloro-6-methylpyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 81231053
(4-chloro-6-methyl-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 81225286
[6-methyl-4-(methylamino)-3-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 81241168
(5-amino-2-chlorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 43562207
(4-hydrazinyl-6-methyl-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 81256605
(4-chloro-6-methyl-3-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835755
4-chloro-N-ethyl-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81226969

Frequently Asked Questions

What is the IUPAC name of (4-chloro-6-methyl-3-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone?
The IUPAC name of (4-chloro-6-methyl-3-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone (CID 114217672) is (4-chloro-6-methyl-3-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for (4-chloro-6-methyl-3-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone?
The canonical SMILES for (4-chloro-6-methyl-3-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone is CCC1CN(C(=O)c2cnc(C)cc2Cl)CCCO1.
What is the InChIKey of (4-chloro-6-methyl-3-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone?
The InChIKey is GNXZFVNYSJGVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-3-11-9-17(5-4-6-19-11)14(18)12-8-16-10(2)7-13(12)15/h7-8,11H,3-6,9H2,1-2H3.
What are the key properties of (4-chloro-6-methyl-3-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone?
(4-chloro-6-methyl-3-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone has a molecular weight of 282.77 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-6-methyl-3-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 114217672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).