5-(2-ethyl-1,4-oxazepane-4-carbonyl)-1H-pyridin-2-one

C13H18N2O3 — CID 114217645

IUPAC5-(2-ethyl-1,4-oxazepane-4-carbonyl)-1H-pyridin-2-one
SMILESCCC1CN(C(=O)c2ccc(=O)[nH]c2)CCCO1
InChIInChI=1S/C13H18N2O3/c1-2-11-9-15(6-3-7-18-11)13(17)10-4-5-12(16)14-8-10/h4-5,8,11H,2-3,6-7,9H2,1H3,(H,14,16)
InChIKeyMJICFPHLEYNTLZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.02
Rot. Bonds2

About 5-(2-ethyl-1,4-oxazepane-4-carbonyl)-1H-pyridin-2-one

5-(2-ethyl-1,4-oxazepane-4-carbonyl)-1H-pyridin-2-one (PubChem CID 114217645) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-(2-ethyl-1,4-oxazepane-4-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(2-ethyl-1,4-oxazepane-4-carbonyl)-1H-pyridin-2-one
PubChem CID114217645
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name5-(2-ethyl-1,4-oxazepane-4-carbonyl)-1H-pyridin-2-one
SMILESCCC1CN(C(=O)c2ccc(=O)[nH]c2)CCCO1
InChIInChI=1S/C13H18N2O3/c1-2-11-9-15(6-3-7-18-11)13(17)10-4-5-12(16)14-8-10/h4-5,8,11H,2-3,6-7,9H2,1H3,(H,14,16)
InChIKeyMJICFPHLEYNTLZ-UHFFFAOYSA-N
XLogP1.02
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylmorpholin-4-yl)-(4-sulfanylphenyl)methanone
CID 107023047
5-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 55064660
(3R)-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
CID 28826297
1-[4-(2-ethylmorpholine-4-carbonyl)phenyl]pyrrolidin-2-one
CID 42943561
(2-ethylmorpholin-4-yl)-(4-methylsulfonylphenyl)methanone
CID 43070670
5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 112630666
[3-(chloromethyl)phenyl]-(2-ethyl-1,4-oxazepan-4-yl)methanone
CID 114218306
6-(2-ethylmorpholine-4-carbonyl)-1H-pyridin-2-one
CID 107261637
1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone
CID 43070650
(4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone
CID 112705730
(4-amino-2-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone
CID 114218720
N-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carboxamide
CID 60701290

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-1,4-oxazepane-4-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 5-(2-ethyl-1,4-oxazepane-4-carbonyl)-1H-pyridin-2-one (CID 114217645) is 5-(2-ethyl-1,4-oxazepane-4-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(2-ethyl-1,4-oxazepane-4-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(2-ethyl-1,4-oxazepane-4-carbonyl)-1H-pyridin-2-one is CCC1CN(C(=O)c2ccc(=O)[nH]c2)CCCO1.
What is the InChIKey of 5-(2-ethyl-1,4-oxazepane-4-carbonyl)-1H-pyridin-2-one?
The InChIKey is MJICFPHLEYNTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-11-9-15(6-3-7-18-11)13(17)10-4-5-12(16)14-8-10/h4-5,8,11H,2-3,6-7,9H2,1H3,(H,14,16).
What are the key properties of 5-(2-ethyl-1,4-oxazepane-4-carbonyl)-1H-pyridin-2-one?
5-(2-ethyl-1,4-oxazepane-4-carbonyl)-1H-pyridin-2-one has a molecular weight of 250.30 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-1,4-oxazepane-4-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 114217645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).