[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone

C21H25N3O2 — CID 125009661

IUPAC[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone
SMILESCc1cc([C@@H]2CN(C(=O)c3ccc(N4CCCC4)cc3)CCO2)ccn1
InChIInChI=1S/C21H25N3O2/c1-16-14-18(8-9-22-16)20-15-24(12-13-26-20)21(25)17-4-6-19(7-5-17)23-10-2-3-11-23/h4-9,14,20H,2-3,10-13,15H2,1H3/t20-/m0/s1
InChIKeyVDWIHARVNXHYQA-FQEVSTJZSA-N
MW351.45 g/mol
LogP3.20
Rot. Bonds3

About [(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone

[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone (PubChem CID 125009661) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is [(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone.

Molecular Properties

Compound Name[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone
PubChem CID125009661
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone
SMILESCc1cc([C@@H]2CN(C(=O)c3ccc(N4CCCC4)cc3)CCO2)ccn1
InChIInChI=1S/C21H25N3O2/c1-16-14-18(8-9-22-16)20-15-24(12-13-26-20)21(25)17-4-6-19(7-5-17)23-10-2-3-11-23/h4-9,14,20H,2-3,10-13,15H2,1H3/t20-/m0/s1
InChIKeyVDWIHARVNXHYQA-FQEVSTJZSA-N
XLogP3.20
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1H-inden-5-yl-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 125019087
[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 125010402
(2-methyl-3H-benzimidazol-5-yl)-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 110102686
(1-methylimidazol-2-yl)-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 110102627
[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone
CID 124949665
2-cyclopentyl-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone
CID 124987741
(4-ethylthiadiazol-5-yl)-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 124953555
5,6-dimethyl-3-[(2R)-2-(2-methyl-4-pyridinyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 124980669
3-methoxy-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one
CID 124943373
[4-(4-methylpiperazin-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone
CID 131903363
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 124988560
1-[2-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 110102640

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone?
The IUPAC name of [(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone (CID 125009661) is [(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone.
What is the SMILES notation for [(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone?
The canonical SMILES for [(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone is Cc1cc([C@@H]2CN(C(=O)c3ccc(N4CCCC4)cc3)CCO2)ccn1.
What is the InChIKey of [(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone?
The InChIKey is VDWIHARVNXHYQA-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16-14-18(8-9-22-16)20-15-24(12-13-26-20)21(25)17-4-6-19(7-5-17)23-10-2-3-11-23/h4-9,14,20H,2-3,10-13,15H2,1H3/t20-/m0/s1.
What are the key properties of [(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone?
[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone has a molecular weight of 351.45 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone is sourced from PubChem (CID 125009661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).