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

C13H19N3O2 — CID 70772603

IUPAC[(3S)-3-ethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
SMILESCC[C@H]1COCCN1C(=O)c1ccnc(NC)c1
InChIInChI=1S/C13H19N3O2/c1-3-11-9-18-7-6-16(11)13(17)10-4-5-15-12(8-10)14-2/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyNOTKQGBQMLKJGV-NSHDSACASA-N
MW249.31 g/mol
LogP1.37
Rot. Bonds3

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

[(3S)-3-ethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone (PubChem CID 70772603) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is [(3S)-3-ethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[(3S)-3-ethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
PubChem CID70772603
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name[(3S)-3-ethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
SMILESCC[C@H]1COCCN1C(=O)c1ccnc(NC)c1
InChIInChI=1S/C13H19N3O2/c1-3-11-9-18-7-6-16(11)13(17)10-4-5-15-12(8-10)14-2/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyNOTKQGBQMLKJGV-NSHDSACASA-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-(methylamino)-4-pyridinyl]-(3-methylmorpholin-4-yl)methanone
CID 55047498
[5-chloro-2-(methylamino)-4-pyridinyl]-(3-ethylmorpholin-4-yl)methanone
CID 114922378
(3-ethylmorpholin-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone
CID 55083039
(3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 104614640
[4-(ethylamino)-2-pyridinyl]-(3-ethylmorpholin-4-yl)methanone
CID 55047074
(6-bromo-3-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 66464852
(3-chloro-4-hydroxyphenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43613528
[(3R)-3-ethylmorpholin-4-yl]-[3-(propan-2-ylamino)phenyl]methanone
CID 96536811
(3-ethylmorpholin-4-yl)-(5-hydroxy-3-pyridinyl)methanone
CID 55257874
[2-(2-hydroxyethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 62166096
[3-(methylaminomethyl)morpholin-4-yl]-pyridin-4-ylmethanone
CID 115270933
[4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone
CID 43611605

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-ethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The IUPAC name of [(3S)-3-ethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone (CID 70772603) is [(3S)-3-ethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone.
What is the SMILES notation for [(3S)-3-ethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The canonical SMILES for [(3S)-3-ethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone is CC[C@H]1COCCN1C(=O)c1ccnc(NC)c1.
What is the InChIKey of [(3S)-3-ethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The InChIKey is NOTKQGBQMLKJGV-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-11-9-18-7-6-16(11)13(17)10-4-5-15-12(8-10)14-2/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,14,15)/t11-/m0/s1.
What are the key properties of [(3S)-3-ethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone?
[(3S)-3-ethylmorpholin-4-yl]-[2-(methylamino)-4-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 [(3S)-3-ethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 70772603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).