1-[2-(2-methylmorpholin-4-yl)-3-pyridinyl]ethanone

C12H16N2O2 — CID 103721776

IUPAC1-[2-(2-methylmorpholin-4-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1cccnc1N1CCOC(C)C1
InChIInChI=1S/C12H16N2O2/c1-9-8-14(6-7-16-9)12-11(10(2)15)4-3-5-13-12/h3-5,9H,6-8H2,1-2H3
InChIKeyCKBKYPUZEYQPAU-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.51
Rot. Bonds2

About 1-[2-(2-methylmorpholin-4-yl)-3-pyridinyl]ethanone

1-[2-(2-methylmorpholin-4-yl)-3-pyridinyl]ethanone (PubChem CID 103721776) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-[2-(2-methylmorpholin-4-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-methylmorpholin-4-yl)-3-pyridinyl]ethanone
PubChem CID103721776
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-[2-(2-methylmorpholin-4-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1cccnc1N1CCOC(C)C1
InChIInChI=1S/C12H16N2O2/c1-9-8-14(6-7-16-9)12-11(10(2)15)4-3-5-13-12/h3-5,9H,6-8H2,1-2H3
InChIKeyCKBKYPUZEYQPAU-UHFFFAOYSA-N
XLogP1.51
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methylmorpholin-4-yl)-3-pyridinyl]methanol
CID 61254368
2-(2-ethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 43420791
1-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 56692641
N-methyl-1-[2-(2-methylmorpholin-4-yl)-3-pyridinyl]methanamine
CID 62285958
1-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 103721831
(2,6-dimethylmorpholin-4-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 134016503
2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylic acid
CID 95525298
methyl 2-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]pyridine-3-carboxylate
CID 115538646
methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate
CID 79770247
2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide
CID 95463386
2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 79181220
1-[2-amino-4-(2-methylmorpholin-4-yl)phenyl]ethanone
CID 104528165

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylmorpholin-4-yl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[2-(2-methylmorpholin-4-yl)-3-pyridinyl]ethanone (CID 103721776) is 1-[2-(2-methylmorpholin-4-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-(2-methylmorpholin-4-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[2-(2-methylmorpholin-4-yl)-3-pyridinyl]ethanone is CC(=O)c1cccnc1N1CCOC(C)C1.
What is the InChIKey of 1-[2-(2-methylmorpholin-4-yl)-3-pyridinyl]ethanone?
The InChIKey is CKBKYPUZEYQPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-8-14(6-7-16-9)12-11(10(2)15)4-3-5-13-12/h3-5,9H,6-8H2,1-2H3.
What are the key properties of 1-[2-(2-methylmorpholin-4-yl)-3-pyridinyl]ethanone?
1-[2-(2-methylmorpholin-4-yl)-3-pyridinyl]ethanone has a molecular weight of 220.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylmorpholin-4-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 103721776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).