[5-(4-chlorophenyl)-3-pyridinyl]-[(2R)-2-methylmorpholin-4-yl]methanone

C17H17ClN2O2 — CID 136582281

IUPAC[5-(4-chlorophenyl)-3-pyridinyl]-[(2R)-2-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)CCO1
InChIInChI=1S/C17H17ClN2O2/c1-12-11-20(6-7-22-12)17(21)15-8-14(9-19-10-15)13-2-4-16(18)5-3-13/h2-5,8-10,12H,6-7,11H2,1H3/t12-/m1/s1
InChIKeyVLHRTVVMSBUSAL-GFCCVEGCSA-N
MW316.79 g/mol
LogP3.26
Rot. Bonds2

About [5-(4-chlorophenyl)-3-pyridinyl]-[(2R)-2-methylmorpholin-4-yl]methanone

[5-(4-chlorophenyl)-3-pyridinyl]-[(2R)-2-methylmorpholin-4-yl]methanone (PubChem CID 136582281) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-3-pyridinyl]-[(2R)-2-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-3-pyridinyl]-[(2R)-2-methylmorpholin-4-yl]methanone
PubChem CID136582281
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name[5-(4-chlorophenyl)-3-pyridinyl]-[(2R)-2-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)CCO1
InChIInChI=1S/C17H17ClN2O2/c1-12-11-20(6-7-22-12)17(21)15-8-14(9-19-10-15)13-2-4-16(18)5-3-13/h2-5,8-10,12H,6-7,11H2,1H3/t12-/m1/s1
InChIKeyVLHRTVVMSBUSAL-GFCCVEGCSA-N
XLogP3.26
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-chlorophenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 42845797
4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-6-methylpiperazin-2-one
CID 146147832
(3S,4S)-1-[5-(4-chlorophenyl)pyridine-3-carbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951694
(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-chlorophenyl)-3-pyridinyl]methanone
CID 120818883
4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-N-ethylpiperazine-1-carboxamide
CID 136514396
1-[4-[5-(morpholine-4-carbonyl)-3-pyridinyl]phenyl]ethanone
CID 42845751
[5-(4-chlorophenyl)-3-pyridinyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 126788593
[5-(4-methoxyphenyl)-3-pyridinyl]-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 126788795
[4-(3-aminopropoxy)piperidin-1-yl]-[5-(4-chlorophenyl)-3-pyridinyl]methanone
CID 119663953
[5-(4-methoxyphenyl)-3-pyridinyl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124620498
[4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 62173081
(5-chloro-2-hydrazinylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 62247369

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-3-pyridinyl]-[(2R)-2-methylmorpholin-4-yl]methanone?
The IUPAC name of [5-(4-chlorophenyl)-3-pyridinyl]-[(2R)-2-methylmorpholin-4-yl]methanone (CID 136582281) is [5-(4-chlorophenyl)-3-pyridinyl]-[(2R)-2-methylmorpholin-4-yl]methanone.
What is the SMILES notation for [5-(4-chlorophenyl)-3-pyridinyl]-[(2R)-2-methylmorpholin-4-yl]methanone?
The canonical SMILES for [5-(4-chlorophenyl)-3-pyridinyl]-[(2R)-2-methylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)CCO1.
What is the InChIKey of [5-(4-chlorophenyl)-3-pyridinyl]-[(2R)-2-methylmorpholin-4-yl]methanone?
The InChIKey is VLHRTVVMSBUSAL-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-12-11-20(6-7-22-12)17(21)15-8-14(9-19-10-15)13-2-4-16(18)5-3-13/h2-5,8-10,12H,6-7,11H2,1H3/t12-/m1/s1.
What are the key properties of [5-(4-chlorophenyl)-3-pyridinyl]-[(2R)-2-methylmorpholin-4-yl]methanone?
[5-(4-chlorophenyl)-3-pyridinyl]-[(2R)-2-methylmorpholin-4-yl]methanone has a molecular weight of 316.79 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-3-pyridinyl]-[(2R)-2-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 136582281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).