(2-chloro-6-ethyl-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone

C14H19ClN2O2 — CID 113379780

IUPAC(2-chloro-6-ethyl-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
SMILESCCc1cc(C(=O)N2CCOCC2CC)cc(Cl)n1
InChIInChI=1S/C14H19ClN2O2/c1-3-11-7-10(8-13(15)16-11)14(18)17-5-6-19-9-12(17)4-2/h7-8,12H,3-6,9H2,1-2H3
InChIKeyATYJZOFYHVMYON-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.55
Rot. Bonds3

About (2-chloro-6-ethyl-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone

(2-chloro-6-ethyl-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone (PubChem CID 113379780) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (2-chloro-6-ethyl-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6-ethyl-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
PubChem CID113379780
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name(2-chloro-6-ethyl-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
SMILESCCc1cc(C(=O)N2CCOCC2CC)cc(Cl)n1
InChIInChI=1S/C14H19ClN2O2/c1-3-11-7-10(8-13(15)16-11)14(18)17-5-6-19-9-12(17)4-2/h7-8,12H,3-6,9H2,1-2H3
InChIKeyATYJZOFYHVMYON-UHFFFAOYSA-N
XLogP2.55
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(3-chloro-4-hydroxyphenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43613528
(3,6-dichloro-2-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 43613155
(5-amino-2-chloro-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 114089389
(3-ethylmorpholin-4-yl)-(5-hydroxy-3-pyridinyl)methanone
CID 55257874
[4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone
CID 43611605
(3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]methanone
CID 115999932
(3-ethylmorpholin-4-yl)-(5-iodothiophen-3-yl)methanone
CID 78966403
[4-(ethylamino)-3,5-difluorophenyl]-(3-ethylmorpholin-4-yl)methanone
CID 63185055
[(3S)-3-ethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 70772603
(2-chloro-6-ethyl-4-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 113379995
(5-amino-2-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43611591
(6-bromo-3-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 66464852

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-ethyl-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone?
The IUPAC name of (2-chloro-6-ethyl-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone (CID 113379780) is (2-chloro-6-ethyl-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-chloro-6-ethyl-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone?
The canonical SMILES for (2-chloro-6-ethyl-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone is CCc1cc(C(=O)N2CCOCC2CC)cc(Cl)n1.
What is the InChIKey of (2-chloro-6-ethyl-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone?
The InChIKey is ATYJZOFYHVMYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-3-11-7-10(8-13(15)16-11)14(18)17-5-6-19-9-12(17)4-2/h7-8,12H,3-6,9H2,1-2H3.
What are the key properties of (2-chloro-6-ethyl-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone?
(2-chloro-6-ethyl-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone has a molecular weight of 282.77 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-ethyl-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone is sourced from PubChem (CID 113379780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).