[5-(ethylamino)-2-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone

C14H21N3O2 — CID 104641208

IUPAC[5-(ethylamino)-2-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCCNc1ccc(C(=O)N2CCCOC(C)C2)nc1
InChIInChI=1S/C14H21N3O2/c1-3-15-12-5-6-13(16-9-12)14(18)17-7-4-8-19-11(2)10-17/h5-6,9,11,15H,3-4,7-8,10H2,1-2H3
InChIKeyOIXWKWKMXWOYJF-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.76
Rot. Bonds3

About [5-(ethylamino)-2-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone

[5-(ethylamino)-2-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone (PubChem CID 104641208) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [5-(ethylamino)-2-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name[5-(ethylamino)-2-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
PubChem CID104641208
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[5-(ethylamino)-2-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCCNc1ccc(C(=O)N2CCCOC(C)C2)nc1
InChIInChI=1S/C14H21N3O2/c1-3-15-12-5-6-13(16-9-12)14(18)17-7-4-8-19-11(2)10-17/h5-6,9,11,15H,3-4,7-8,10H2,1-2H3
InChIKeyOIXWKWKMXWOYJF-UHFFFAOYSA-N
XLogP1.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylmorpholin-4-yl)-[5-(propylamino)-2-pyridinyl]methanone
CID 104639909
azocan-1-yl-[5-(ethylamino)-2-pyridinyl]methanone
CID 104639816
(5-hydrazinyl-2-pyridinyl)-(2-methylmorpholin-4-yl)methanone
CID 104642344
[5-(ethylamino)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102964695
[5-(ethylamino)-2-pyridinyl]-(4-ethylazepan-1-yl)methanone
CID 104641489
(5-ethoxypyrazin-2-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 126781042
[3-(ethylamino)-4-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 105069932
[2-(hydroxymethyl)morpholin-4-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 113436230
(6-chloropyridazin-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 55152774
[5-(ethylamino)-2-pyridinyl]-(2-methylazepan-1-yl)methanone
CID 104641464
[5-(ethylamino)-2-pyridinyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 104641158
(3-hydroxy-4-methylpiperidin-1-yl)-[5-(propylamino)-2-pyridinyl]methanone
CID 102964768

Frequently Asked Questions

What is the IUPAC name of [5-(ethylamino)-2-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone?
The IUPAC name of [5-(ethylamino)-2-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone (CID 104641208) is [5-(ethylamino)-2-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for [5-(ethylamino)-2-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone?
The canonical SMILES for [5-(ethylamino)-2-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone is CCNc1ccc(C(=O)N2CCCOC(C)C2)nc1.
What is the InChIKey of [5-(ethylamino)-2-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone?
The InChIKey is OIXWKWKMXWOYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-15-12-5-6-13(16-9-12)14(18)17-7-4-8-19-11(2)10-17/h5-6,9,11,15H,3-4,7-8,10H2,1-2H3.
What are the key properties of [5-(ethylamino)-2-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone?
[5-(ethylamino)-2-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(ethylamino)-2-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 104641208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).