(4-chloro-2-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone

C13H17ClN2O2 — CID 60656502

IUPAC(4-chloro-2-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
SMILESCCC1COC(C)CN1C(=O)c1cc(Cl)ccn1
InChIInChI=1S/C13H17ClN2O2/c1-3-11-8-18-9(2)7-16(11)13(17)12-6-10(14)4-5-15-12/h4-6,9,11H,3,7-8H2,1-2H3
InChIKeyASIXGVKZTCKTMS-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.37
Rot. Bonds2

About (4-chloro-2-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone

(4-chloro-2-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone (PubChem CID 60656502) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is (4-chloro-2-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-chloro-2-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
PubChem CID60656502
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name(4-chloro-2-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
SMILESCCC1COC(C)CN1C(=O)c1cc(Cl)ccn1
InChIInChI=1S/C13H17ClN2O2/c1-3-11-8-18-9(2)7-16(11)13(17)12-6-10(14)4-5-15-12/h4-6,9,11H,3,7-8H2,1-2H3
InChIKeyASIXGVKZTCKTMS-UHFFFAOYSA-N
XLogP2.37
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-3-pyridinyl)-[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]methanone
CID 93417513
(2-bromo-4-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 103755584
(2-chloro-5-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 106501494
6-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
CID 61424915
[5-(aminomethyl)-2-pyridinyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 55229054
(5-ethyl-2-methylmorpholin-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105385751
6-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carbonitrile
CID 63719120
[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone
CID 95358527
(4-chloro-2-pyridinyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 86849322
2-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carboxylic acid
CID 63614082
(3,5-diaminophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 61093877
3-(5-ethyl-2-methylmorpholine-4-carbonyl)benzoic acid
CID 61424863

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The IUPAC name of (4-chloro-2-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone (CID 60656502) is (4-chloro-2-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-chloro-2-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (4-chloro-2-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone is CCC1COC(C)CN1C(=O)c1cc(Cl)ccn1.
What is the InChIKey of (4-chloro-2-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The InChIKey is ASIXGVKZTCKTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-3-11-8-18-9(2)7-16(11)13(17)12-6-10(14)4-5-15-12/h4-6,9,11H,3,7-8H2,1-2H3.
What are the key properties of (4-chloro-2-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
(4-chloro-2-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone has a molecular weight of 268.74 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 60656502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).