(3R)-3-[[6-[(4-methylphenyl)methyl]-3-pyridinyl]oxy]-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one

C22H22N4O2 — CID 167004325

IUPAC(3R)-3-[[6-[(4-methylphenyl)methyl]-3-pyridinyl]oxy]-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one
SMILESCc1ccc(Cc2ccc(O[C@@H]3CCN(c4cnc(C)nc4)C3=O)cn2)cc1
InChIInChI=1S/C22H22N4O2/c1-15-3-5-17(6-4-15)11-18-7-8-20(14-25-18)28-21-9-10-26(22(21)27)19-12-23-16(2)24-13-19/h3-8,12-14,21H,9-11H2,1-2H3/t21-/m1/s1
InChIKeyAEWBOQRXRWHEOH-OAQYLSRUSA-N
MW374.44 g/mol
LogP3.26
Rot. Bonds5

About (3R)-3-[[6-[(4-methylphenyl)methyl]-3-pyridinyl]oxy]-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one

(3R)-3-[[6-[(4-methylphenyl)methyl]-3-pyridinyl]oxy]-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one (PubChem CID 167004325) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is (3R)-3-[[6-[(4-methylphenyl)methyl]-3-pyridinyl]oxy]-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[[6-[(4-methylphenyl)methyl]-3-pyridinyl]oxy]-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one
PubChem CID167004325
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name(3R)-3-[[6-[(4-methylphenyl)methyl]-3-pyridinyl]oxy]-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one
SMILESCc1ccc(Cc2ccc(O[C@@H]3CCN(c4cnc(C)nc4)C3=O)cn2)cc1
InChIInChI=1S/C22H22N4O2/c1-15-3-5-17(6-4-15)11-18-7-8-20(14-25-18)28-21-9-10-26(22(21)27)19-12-23-16(2)24-13-19/h3-8,12-14,21H,9-11H2,1-2H3/t21-/m1/s1
InChIKeyAEWBOQRXRWHEOH-OAQYLSRUSA-N
XLogP3.26
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-difluorobutane;3-[(6-methyl-3-pyridinyl)oxy]-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one;3-methylsulfonylpentane
CID 142414602
3-[[6-(2-fluoro-2-methylpropoxy)-3-pyridinyl]oxy]-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one;methyl-methylidene-oxo-pentan-3-yl-λ6-sulfane
CID 142414605
1-(4-methylphenyl)-3-(4-methylsulfonylphenoxy)pyrrolidin-2-one
CID 122137382
1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-(4-methylphenoxy)pyrrolidin-2-one
CID 160523814
methyl 1-[5-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxylate
CID 135306598
(3R)-3-[[6-(2-fluoro-2-methylpropoxy)-3-pyridinyl]oxy]-1-[2-(3-propan-2-ylsulfanylazetidin-1-yl)pyrimidin-5-yl]pyrrolidin-2-one
CID 167004103
N,2-diethyl-4-[5-[(3R)-3-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]butanamide
CID 167004036
N,N-dimethyl-2-[3-[5-[(3R)-2-oxo-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-yl]cyclobutyl]acetamide
CID 167004104
2-[5-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]benzotriazol-2-yl]acetic acid
CID 123455305
(3R)-3-[4-(cyclopropanecarbonyl)phenoxy]-1-[2-(3-methylsulfinylazetidin-1-yl)pyrimidin-5-yl]pyrrolidin-2-one;ethane
CID 142414589
(3R)-1-[2-[3-(4-acetylpiperazine-1-carbonyl)cyclobutyl]pyrimidin-5-yl]-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]pyrrolidin-2-one
CID 142414513
2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 159093164

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[6-[(4-methylphenyl)methyl]-3-pyridinyl]oxy]-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one?
The IUPAC name of (3R)-3-[[6-[(4-methylphenyl)methyl]-3-pyridinyl]oxy]-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one (CID 167004325) is (3R)-3-[[6-[(4-methylphenyl)methyl]-3-pyridinyl]oxy]-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[[6-[(4-methylphenyl)methyl]-3-pyridinyl]oxy]-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one?
The canonical SMILES for (3R)-3-[[6-[(4-methylphenyl)methyl]-3-pyridinyl]oxy]-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one is Cc1ccc(Cc2ccc(O[C@@H]3CCN(c4cnc(C)nc4)C3=O)cn2)cc1.
What is the InChIKey of (3R)-3-[[6-[(4-methylphenyl)methyl]-3-pyridinyl]oxy]-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one?
The InChIKey is AEWBOQRXRWHEOH-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15-3-5-17(6-4-15)11-18-7-8-20(14-25-18)28-21-9-10-26(22(21)27)19-12-23-16(2)24-13-19/h3-8,12-14,21H,9-11H2,1-2H3/t21-/m1/s1.
What are the key properties of (3R)-3-[[6-[(4-methylphenyl)methyl]-3-pyridinyl]oxy]-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one?
(3R)-3-[[6-[(4-methylphenyl)methyl]-3-pyridinyl]oxy]-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one has a molecular weight of 374.44 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[6-[(4-methylphenyl)methyl]-3-pyridinyl]oxy]-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 167004325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).