1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-pyrrolidin-1-ylethanone

C24H31N3O3 — CID 127251454

IUPAC1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-pyrrolidin-1-ylethanone
SMILESCOc1ccc(Cc2cc(C)nc(C3CN(C(=O)CN4CCCC4)CCO3)c2)cc1
InChIInChI=1S/C24H31N3O3/c1-18-13-20(14-19-5-7-21(29-2)8-6-19)15-22(25-18)23-16-27(11-12-30-23)24(28)17-26-9-3-4-10-26/h5-8,13,15,23H,3-4,9-12,14,16-17H2,1-2H3
InChIKeyCJOXOBGGYRMUPI-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.99
Rot. Bonds6

About 1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-pyrrolidin-1-ylethanone

1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-pyrrolidin-1-ylethanone (PubChem CID 127251454) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-pyrrolidin-1-ylethanone
PubChem CID127251454
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-pyrrolidin-1-ylethanone
SMILESCOc1ccc(Cc2cc(C)nc(C3CN(C(=O)CN4CCCC4)CCO3)c2)cc1
InChIInChI=1S/C24H31N3O3/c1-18-13-20(14-19-5-7-21(29-2)8-6-19)15-22(25-18)23-16-27(11-12-30-23)24(28)17-26-9-3-4-10-26/h5-8,13,15,23H,3-4,9-12,14,16-17H2,1-2H3
InChIKeyCJOXOBGGYRMUPI-UHFFFAOYSA-N
XLogP2.99
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 127251461
1-[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-pyrrolidin-1-ylethanone
CID 110113531
1-[2-[2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]azepan-2-one
CID 127251546
[2-[4-[(3-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 127251425
1-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 125007770
2-(4-fluorophenyl)-1-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone
CID 129454540
1-[(2R)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-2-(3-methoxyphenyl)ethanone
CID 125010044
1-[3-[2-(4-benzyl-6-methyl-2-pyridinyl)morpholin-4-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
CID 127251522
1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-piperazin-1-ylethanone;hydrochloride
CID 154892435
(5-methyl-1H-indazol-3-yl)-[2-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone
CID 127251575
2-(4-fluorophenyl)-1-[(2S)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone
CID 125020266
1-[2-[(2R)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 124950641

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-pyrrolidin-1-ylethanone (CID 127251454) is 1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-pyrrolidin-1-ylethanone is COc1ccc(Cc2cc(C)nc(C3CN(C(=O)CN4CCCC4)CCO3)c2)cc1.
What is the InChIKey of 1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-pyrrolidin-1-ylethanone?
The InChIKey is CJOXOBGGYRMUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-18-13-20(14-19-5-7-21(29-2)8-6-19)15-22(25-18)23-16-27(11-12-30-23)24(28)17-26-9-3-4-10-26/h5-8,13,15,23H,3-4,9-12,14,16-17H2,1-2H3.
What are the key properties of 1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-pyrrolidin-1-ylethanone?
1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-pyrrolidin-1-ylethanone has a molecular weight of 409.53 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 127251454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).