1-[(3R)-3-(5-methylfuran-2-yl)morpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone

C17H20N2O3 — CID 124618190

IUPAC1-[(3R)-3-(5-methylfuran-2-yl)morpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone
SMILESCc1ccc([C@H]2COCCN2C(=O)Cc2ccncc2C)o1
InChIInChI=1S/C17H20N2O3/c1-12-10-18-6-5-14(12)9-17(20)19-7-8-21-11-15(19)16-4-3-13(2)22-16/h3-6,10,15H,7-9,11H2,1-2H3/t15-/m1/s1
InChIKeyKHFRRMMECZLLGZ-OAHLLOKOSA-N
MW300.36 g/mol
LogP2.43
Rot. Bonds3

About 1-[(3R)-3-(5-methylfuran-2-yl)morpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone

1-[(3R)-3-(5-methylfuran-2-yl)morpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone (PubChem CID 124618190) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[(3R)-3-(5-methylfuran-2-yl)morpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-(5-methylfuran-2-yl)morpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone
PubChem CID124618190
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-[(3R)-3-(5-methylfuran-2-yl)morpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone
SMILESCc1ccc([C@H]2COCCN2C(=O)Cc2ccncc2C)o1
InChIInChI=1S/C17H20N2O3/c1-12-10-18-6-5-14(12)9-17(20)19-7-8-21-11-15(19)16-4-3-13(2)22-16/h3-6,10,15H,7-9,11H2,1-2H3/t15-/m1/s1
InChIKeyKHFRRMMECZLLGZ-OAHLLOKOSA-N
XLogP2.43
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(5-methylfuran-2-yl)morpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone?
The IUPAC name of 1-[(3R)-3-(5-methylfuran-2-yl)morpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone (CID 124618190) is 1-[(3R)-3-(5-methylfuran-2-yl)morpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone.
What is the SMILES notation for 1-[(3R)-3-(5-methylfuran-2-yl)morpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone?
The canonical SMILES for 1-[(3R)-3-(5-methylfuran-2-yl)morpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone is Cc1ccc([C@H]2COCCN2C(=O)Cc2ccncc2C)o1.
What is the InChIKey of 1-[(3R)-3-(5-methylfuran-2-yl)morpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone?
The InChIKey is KHFRRMMECZLLGZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12-10-18-6-5-14(12)9-17(20)19-7-8-21-11-15(19)16-4-3-13(2)22-16/h3-6,10,15H,7-9,11H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[(3R)-3-(5-methylfuran-2-yl)morpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone?
1-[(3R)-3-(5-methylfuran-2-yl)morpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone has a molecular weight of 300.36 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(5-methylfuran-2-yl)morpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone is sourced from PubChem (CID 124618190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).