5-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholine-4-carbonyl]-1-methylpyridin-2-one

C23H22ClN3O3 — CID 127250237

IUPAC5-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholine-4-carbonyl]-1-methylpyridin-2-one
SMILESCn1cc(C(=O)N2CCOC(c3ccc(Cc4cccc(Cl)c4)cn3)C2)ccc1=O
InChIInChI=1S/C23H22ClN3O3/c1-26-14-18(6-8-22(26)28)23(29)27-9-10-30-21(15-27)20-7-5-17(13-25-20)11-16-3-2-4-19(24)12-16/h2-8,12-14,21H,9-11,15H2,1H3
InChIKeyRROKQCIBSKHDKL-UHFFFAOYSA-N
MW423.90 g/mol
LogP3.24
Rot. Bonds4

About 5-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholine-4-carbonyl]-1-methylpyridin-2-one

5-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholine-4-carbonyl]-1-methylpyridin-2-one (PubChem CID 127250237) has the molecular formula C23H22ClN3O3 and a molecular weight of 423.90 g/mol. Its IUPAC name is 5-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholine-4-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholine-4-carbonyl]-1-methylpyridin-2-one
PubChem CID127250237
Molecular FormulaC23H22ClN3O3
Molecular Weight423.90 g/mol
Exact Mass423.13
IUPAC Name5-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholine-4-carbonyl]-1-methylpyridin-2-one
SMILESCn1cc(C(=O)N2CCOC(c3ccc(Cc4cccc(Cl)c4)cn3)C2)ccc1=O
InChIInChI=1S/C23H22ClN3O3/c1-26-14-18(6-8-22(26)28)23(29)27-9-10-30-21(15-27)20-7-5-17(13-25-20)11-16-3-2-4-19(24)12-16/h2-8,12-14,21H,9-11,15H2,1H3
InChIKeyRROKQCIBSKHDKL-UHFFFAOYSA-N
XLogP3.24
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124976913
5-[(2S)-2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholine-4-carbonyl]-1-methylpyridin-2-one
CID 124999007
(6-amino-3-pyridinyl)-[2-[5-[(2-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone
CID 127250252
N-[4-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholine-4-carbonyl]phenyl]acetamide
CID 127252304
[(2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 124967747
6-[(2S)-4-(4-chlorobenzoyl)morpholin-2-yl]pyridine-3-carboxamide
CID 95847945
[2-(3-chlorophenyl)morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone
CID 122138903
1-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholin-4-yl]-3-phenylpropan-1-one
CID 127252242
1-[(2S)-1-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one
CID 92616666
3-[4-(1-methyl-6-oxopyridine-3-carbonyl)morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 110251191
[3-[[(5-chloropyrimidin-2-yl)amino]methyl]phenyl]-[(2S)-2-methylmorpholin-4-yl]methanone
CID 97220547
(6-ethylsulfanyl-3-pyridinyl)-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 95326024

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholine-4-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholine-4-carbonyl]-1-methylpyridin-2-one (CID 127250237) is 5-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholine-4-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholine-4-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholine-4-carbonyl]-1-methylpyridin-2-one is Cn1cc(C(=O)N2CCOC(c3ccc(Cc4cccc(Cl)c4)cn3)C2)ccc1=O.
What is the InChIKey of 5-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholine-4-carbonyl]-1-methylpyridin-2-one?
The InChIKey is RROKQCIBSKHDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O3/c1-26-14-18(6-8-22(26)28)23(29)27-9-10-30-21(15-27)20-7-5-17(13-25-20)11-16-3-2-4-19(24)12-16/h2-8,12-14,21H,9-11,15H2,1H3.
What are the key properties of 5-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholine-4-carbonyl]-1-methylpyridin-2-one?
5-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholine-4-carbonyl]-1-methylpyridin-2-one has a molecular weight of 423.90 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholine-4-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 127250237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).