3-chloro-5-[(2S)-2-pyridin-4-ylmorpholine-4-carbonyl]-1H-pyridin-2-one

C15H14ClN3O3 — CID 124953854

IUPAC3-chloro-5-[(2S)-2-pyridin-4-ylmorpholine-4-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1c[nH]c(=O)c(Cl)c1)N1CCO[C@@H](c2ccncc2)C1
InChIInChI=1S/C15H14ClN3O3/c16-12-7-11(8-18-14(12)20)15(21)19-5-6-22-13(9-19)10-1-3-17-4-2-10/h1-4,7-8,13H,5-6,9H2,(H,18,20)/t13-/m1/s1
InChIKeyDYEXSBUPYBFAMM-CYBMUJFWSA-N
MW319.75 g/mol
LogP1.64
Rot. Bonds2

About 3-chloro-5-[(2S)-2-pyridin-4-ylmorpholine-4-carbonyl]-1H-pyridin-2-one

3-chloro-5-[(2S)-2-pyridin-4-ylmorpholine-4-carbonyl]-1H-pyridin-2-one (PubChem CID 124953854) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is 3-chloro-5-[(2S)-2-pyridin-4-ylmorpholine-4-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-[(2S)-2-pyridin-4-ylmorpholine-4-carbonyl]-1H-pyridin-2-one
PubChem CID124953854
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC Name3-chloro-5-[(2S)-2-pyridin-4-ylmorpholine-4-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1c[nH]c(=O)c(Cl)c1)N1CCO[C@@H](c2ccncc2)C1
InChIInChI=1S/C15H14ClN3O3/c16-12-7-11(8-18-14(12)20)15(21)19-5-6-22-13(9-19)10-1-3-17-4-2-10/h1-4,7-8,13H,5-6,9H2,(H,18,20)/t13-/m1/s1
InChIKeyDYEXSBUPYBFAMM-CYBMUJFWSA-N
XLogP1.64
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(1,4-dimethylimidazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 124992992
3-chloro-5-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 56866305
3-(2-pyridin-4-ylmorpholine-4-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 155983417
pyridin-4-yl-(2-pyridin-2-ylmorpholin-4-yl)methanone
CID 110270765
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 95174642
(2-propan-2-ylpyrazol-3-yl)-(2-pyridin-4-ylmorpholin-4-yl)methanone
CID 155983403
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-pyrazolidin-3-ylphenyl)methanone
CID 134080021
5-[(2S)-2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-1,2-dihydropyrazol-3-one
CID 95468926
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(2-methylpyrimidin-5-yl)methanone
CID 95228845
isoquinolin-1-yl-[(2R)-2-pyridin-4-ylmorpholin-4-yl]methanone
CID 124957778
(4-methyl-1,3-thiazol-5-yl)-[(2R)-2-pyridin-4-ylmorpholin-4-yl]methanone
CID 124998940

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(2S)-2-pyridin-4-ylmorpholine-4-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-[(2S)-2-pyridin-4-ylmorpholine-4-carbonyl]-1H-pyridin-2-one (CID 124953854) is 3-chloro-5-[(2S)-2-pyridin-4-ylmorpholine-4-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-[(2S)-2-pyridin-4-ylmorpholine-4-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-[(2S)-2-pyridin-4-ylmorpholine-4-carbonyl]-1H-pyridin-2-one is O=C(c1c[nH]c(=O)c(Cl)c1)N1CCO[C@@H](c2ccncc2)C1.
What is the InChIKey of 3-chloro-5-[(2S)-2-pyridin-4-ylmorpholine-4-carbonyl]-1H-pyridin-2-one?
The InChIKey is DYEXSBUPYBFAMM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c16-12-7-11(8-18-14(12)20)15(21)19-5-6-22-13(9-19)10-1-3-17-4-2-10/h1-4,7-8,13H,5-6,9H2,(H,18,20)/t13-/m1/s1.
What are the key properties of 3-chloro-5-[(2S)-2-pyridin-4-ylmorpholine-4-carbonyl]-1H-pyridin-2-one?
3-chloro-5-[(2S)-2-pyridin-4-ylmorpholine-4-carbonyl]-1H-pyridin-2-one has a molecular weight of 319.75 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(2S)-2-pyridin-4-ylmorpholine-4-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 124953854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).