(2-ethylmorpholin-4-yl)-[2-(methylamino)-3-pyridinyl]methanone

C13H19N3O2 — CID 62170253

IUPAC(2-ethylmorpholin-4-yl)-[2-(methylamino)-3-pyridinyl]methanone
SMILESCCC1CN(C(=O)c2cccnc2NC)CCO1
InChIInChI=1S/C13H19N3O2/c1-3-10-9-16(7-8-18-10)13(17)11-5-4-6-15-12(11)14-2/h4-6,10H,3,7-9H2,1-2H3,(H,14,15)
InChIKeyUQQGIRHENCNDKW-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.37
Rot. Bonds3

About (2-ethylmorpholin-4-yl)-[2-(methylamino)-3-pyridinyl]methanone

(2-ethylmorpholin-4-yl)-[2-(methylamino)-3-pyridinyl]methanone (PubChem CID 62170253) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2-ethylmorpholin-4-yl)-[2-(methylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(2-ethylmorpholin-4-yl)-[2-(methylamino)-3-pyridinyl]methanone
PubChem CID62170253
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(2-ethylmorpholin-4-yl)-[2-(methylamino)-3-pyridinyl]methanone
SMILESCCC1CN(C(=O)c2cccnc2NC)CCO1
InChIInChI=1S/C13H19N3O2/c1-3-10-9-16(7-8-18-10)13(17)11-5-4-6-15-12(11)14-2/h4-6,10H,3,7-9H2,1-2H3,(H,14,15)
InChIKeyUQQGIRHENCNDKW-UHFFFAOYSA-N
XLogP1.37
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethylmorpholin-4-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62170255
[(2R)-2-ethylmorpholin-4-yl]-(2-methoxy-3-pyridinyl)methanone
CID 94023356
[2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 62172050
(3,5-dimethylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 62166241
[(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone
CID 42515870
[(3R)-4-benzyl-3-methylpiperazin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 170939364
[4-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 62185539
[6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-[2-(methylamino)-3-pyridinyl]methanone;formic acid
CID 154910507
(2-ethylmorpholin-4-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 43070553
2-(2-ethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 43420791
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(methylamino)-3-pyridinyl]methanone
CID 79945624
(2-hydrazinyl-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62967501

Frequently Asked Questions

What is the IUPAC name of (2-ethylmorpholin-4-yl)-[2-(methylamino)-3-pyridinyl]methanone?
The IUPAC name of (2-ethylmorpholin-4-yl)-[2-(methylamino)-3-pyridinyl]methanone (CID 62170253) is (2-ethylmorpholin-4-yl)-[2-(methylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (2-ethylmorpholin-4-yl)-[2-(methylamino)-3-pyridinyl]methanone?
The canonical SMILES for (2-ethylmorpholin-4-yl)-[2-(methylamino)-3-pyridinyl]methanone is CCC1CN(C(=O)c2cccnc2NC)CCO1.
What is the InChIKey of (2-ethylmorpholin-4-yl)-[2-(methylamino)-3-pyridinyl]methanone?
The InChIKey is UQQGIRHENCNDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-10-9-16(7-8-18-10)13(17)11-5-4-6-15-12(11)14-2/h4-6,10H,3,7-9H2,1-2H3,(H,14,15).
What are the key properties of (2-ethylmorpholin-4-yl)-[2-(methylamino)-3-pyridinyl]methanone?
(2-ethylmorpholin-4-yl)-[2-(methylamino)-3-pyridinyl]methanone has a molecular weight of 249.31 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylmorpholin-4-yl)-[2-(methylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 62170253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).