3-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

C17H22N4O3 — CID 124996496

IUPAC3-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCc1cnc([C@@H]2CN(C(=O)c3ccc(C(C)C)[nH]c3=O)CCO2)[nH]1
InChIInChI=1S/C17H22N4O3/c1-10(2)13-5-4-12(16(22)20-13)17(23)21-6-7-24-14(9-21)15-18-8-11(3)19-15/h4-5,8,10,14H,6-7,9H2,1-3H3,(H,18,19)(H,20,22)/t14-/m0/s1
InChIKeyQTLVYCWJLBRBJH-AWEZNQCLSA-N
MW330.39 g/mol
LogP1.74
Rot. Bonds3

About 3-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

3-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 124996496) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
PubChem CID124996496
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name3-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCc1cnc([C@@H]2CN(C(=O)c3ccc(C(C)C)[nH]c3=O)CCO2)[nH]1
InChIInChI=1S/C17H22N4O3/c1-10(2)13-5-4-12(16(22)20-13)17(23)21-6-7-24-14(9-21)15-18-8-11(3)19-15/h4-5,8,10,14H,6-7,9H2,1-3H3,(H,18,19)(H,20,22)/t14-/m0/s1
InChIKeyQTLVYCWJLBRBJH-AWEZNQCLSA-N
XLogP1.74
TPSA91.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one with MolForge

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Related Compounds

5-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 124954554
5-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 124954553
6-propan-2-yl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 56870455
6-methyl-3-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 124992825
[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
CID 125016289
6-methyl-4-[2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidin-2-one
CID 155983475
[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 125010402
[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 110104959
[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 125021403
2-cyclopropyl-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 73439823
[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1-methylpiperidin-4-yl)methanone
CID 124947783
2,3-dihydro-1H-inden-5-yl-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 124988304

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (CID 124996496) is 3-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is Cc1cnc([C@@H]2CN(C(=O)c3ccc(C(C)C)[nH]c3=O)CCO2)[nH]1.
What is the InChIKey of 3-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is QTLVYCWJLBRBJH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-10(2)13-5-4-12(16(22)20-13)17(23)21-6-7-24-14(9-21)15-18-8-11(3)19-15/h4-5,8,10,14H,6-7,9H2,1-3H3,(H,18,19)(H,20,22)/t14-/m0/s1.
What are the key properties of 3-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
3-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 330.39 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 124996496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).