N,2-diethyl-4-[5-[(3R)-3-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]butanamide

C28H32FN5O4 — CID 167004036

IUPACN,2-diethyl-4-[5-[(3R)-3-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]butanamide
SMILESCCNC(=O)C(CC)CCc1ncc(N2CC[C@@H](Oc3ccc(OCc4ccc(F)cc4)nc3)C2=O)cn1
InChIInChI=1S/C28H32FN5O4/c1-3-20(27(35)30-4-2)7-11-25-31-15-22(16-32-25)34-14-13-24(28(34)36)38-23-10-12-26(33-17-23)37-18-19-5-8-21(29)9-6-19/h5-6,8-10,12,15-17,20,24H,3-4,7,11,13-14,18H2,1-2H3,(H,30,35)/t20?,24-/m1/s1
InChIKeyTVONDKNMJZBUQR-PIFIWZBESA-N
MW521.59 g/mol
LogP3.87
Rot. Bonds12

About N,2-diethyl-4-[5-[(3R)-3-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]butanamide

N,2-diethyl-4-[5-[(3R)-3-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]butanamide (PubChem CID 167004036) has the molecular formula C28H32FN5O4 and a molecular weight of 521.59 g/mol. Its IUPAC name is N,2-diethyl-4-[5-[(3R)-3-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]butanamide.

Molecular Properties

Compound NameN,2-diethyl-4-[5-[(3R)-3-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]butanamide
PubChem CID167004036
Molecular FormulaC28H32FN5O4
Molecular Weight521.59 g/mol
Exact Mass521.24
IUPAC NameN,2-diethyl-4-[5-[(3R)-3-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]butanamide
SMILESCCNC(=O)C(CC)CCc1ncc(N2CC[C@@H](Oc3ccc(OCc4ccc(F)cc4)nc3)C2=O)cn1
InChIInChI=1S/C28H32FN5O4/c1-3-20(27(35)30-4-2)7-11-25-31-15-22(16-32-25)34-14-13-24(28(34)36)38-23-10-12-26(33-17-23)37-18-19-5-8-21(29)9-6-19/h5-6,8-10,12,15-17,20,24H,3-4,7,11,13-14,18H2,1-2H3,(H,30,35)/t20?,24-/m1/s1
InChIKeyTVONDKNMJZBUQR-PIFIWZBESA-N
XLogP3.87
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.59
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,2-diethyl-4-[5-[(3R)-3-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-[2-[3-(4-acetylpiperazine-1-carbonyl)cyclobutyl]pyrimidin-5-yl]-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]pyrrolidin-2-one
CID 142414513
methyl 1-[5-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxylate
CID 135306598
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-[5-[(3R)-2-oxo-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-pyridinyl]azetidine-3-carboxylic acid
CID 135306694
(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
8-fluoro-6-[(3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 118417796
4-[1-[5-[(3R)-3-[[6-(2,2-difluoropropoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]azetidin-3-yl]-1H-1,2,4-triazol-5-one
CID 167004120
(3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one;3-methylsulfinylpentane
CID 142414546
(3R)-3-[[6-[(4-methylphenyl)methyl]-3-pyridinyl]oxy]-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one
CID 167004325
(3R)-3-[[6-(3-ethoxypropoxy)-3-pyridinyl]oxy]-1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one
CID 90091864
6-[(3R)-3-[(6-ethoxy-3-pyridinyl)oxy]-2-oxopyrrolidin-1-yl]-4-fluoro-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-isoindol-1-one
CID 118418279
1-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-fluoro-2-pyridinyl]-N,N-dimethylazetidine-3-carboxamide
CID 139437081

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-4-[5-[(3R)-3-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]butanamide?
The IUPAC name of N,2-diethyl-4-[5-[(3R)-3-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]butanamide (CID 167004036) is N,2-diethyl-4-[5-[(3R)-3-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]butanamide.
What is the SMILES notation for N,2-diethyl-4-[5-[(3R)-3-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]butanamide?
The canonical SMILES for N,2-diethyl-4-[5-[(3R)-3-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]butanamide is CCNC(=O)C(CC)CCc1ncc(N2CC[C@@H](Oc3ccc(OCc4ccc(F)cc4)nc3)C2=O)cn1.
What is the InChIKey of N,2-diethyl-4-[5-[(3R)-3-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]butanamide?
The InChIKey is TVONDKNMJZBUQR-PIFIWZBESA-N. The full InChI is InChI=1S/C28H32FN5O4/c1-3-20(27(35)30-4-2)7-11-25-31-15-22(16-32-25)34-14-13-24(28(34)36)38-23-10-12-26(33-17-23)37-18-19-5-8-21(29)9-6-19/h5-6,8-10,12,15-17,20,24H,3-4,7,11,13-14,18H2,1-2H3,(H,30,35)/t20?,24-/m1/s1.
What are the key properties of N,2-diethyl-4-[5-[(3R)-3-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]butanamide?
N,2-diethyl-4-[5-[(3R)-3-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]butanamide has a molecular weight of 521.59 g/mol, XLogP of 3.87, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-4-[5-[(3R)-3-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]butanamide is sourced from PubChem (CID 167004036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).