3-chloro-5-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one

C15H17ClN4O3 — CID 124992992

IUPAC3-chloro-5-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one
SMILESCc1cn(C)c([C@@H]2CN(C(=O)c3c[nH]c(=O)c(Cl)c3)CCO2)n1
InChIInChI=1S/C15H17ClN4O3/c1-9-7-19(2)13(18-9)12-8-20(3-4-23-12)15(22)10-5-11(16)14(21)17-6-10/h5-7,12H,3-4,8H2,1-2H3,(H,17,21)/t12-/m0/s1
InChIKeyPUKYTURQTFJYSW-LBPRGKRZSA-N
MW336.78 g/mol
LogP1.28
Rot. Bonds2

About 3-chloro-5-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one

3-chloro-5-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one (PubChem CID 124992992) has the molecular formula C15H17ClN4O3 and a molecular weight of 336.78 g/mol. Its IUPAC name is 3-chloro-5-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one
PubChem CID124992992
Molecular FormulaC15H17ClN4O3
Molecular Weight336.78 g/mol
Exact Mass336.10
IUPAC Name3-chloro-5-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one
SMILESCc1cn(C)c([C@@H]2CN(C(=O)c3c[nH]c(=O)c(Cl)c3)CCO2)n1
InChIInChI=1S/C15H17ClN4O3/c1-9-7-19(2)13(18-9)12-8-20(3-4-23-12)15(22)10-5-11(16)14(21)17-6-10/h5-7,12H,3-4,8H2,1-2H3,(H,17,21)/t12-/m0/s1
InChIKeyPUKYTURQTFJYSW-LBPRGKRZSA-N
XLogP1.28
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-5-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one with MolForge

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Related Compounds

3-chloro-5-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 95554145
3-chloro-5-[(2S)-2-pyridin-4-ylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 124953854
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 155983479
3-[2-(1,4-dimethylimidazol-2-yl)morpholine-4-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 110105323
[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 124988619
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone
CID 110105018
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]methanone
CID 110105148
3-chloro-5-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 56866305
[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 124940324
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone
CID 155983480
(3-cyclohexyl-1,2-oxazol-5-yl)-[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]methanone
CID 110105329
3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]propan-1-one
CID 124960798

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one (CID 124992992) is 3-chloro-5-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one is Cc1cn(C)c([C@@H]2CN(C(=O)c3c[nH]c(=O)c(Cl)c3)CCO2)n1.
What is the InChIKey of 3-chloro-5-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one?
The InChIKey is PUKYTURQTFJYSW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17ClN4O3/c1-9-7-19(2)13(18-9)12-8-20(3-4-23-12)15(22)10-5-11(16)14(21)17-6-10/h5-7,12H,3-4,8H2,1-2H3,(H,17,21)/t12-/m0/s1.
What are the key properties of 3-chloro-5-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one?
3-chloro-5-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one has a molecular weight of 336.78 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 124992992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).