2-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]propanenitrile;4-[3-[(4R)-4-[3-(3-cyanopropoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]anilino]butanenitrile;3-[4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide

C69H72N10O10 — CID 161384087

IUPAC2-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]propanenitrile;4-[3-[(4R)-4-[3-(3-cyanopropoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]anilino]butanenitrile;3-[4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide
SMILESCOc1ccc(C2CC(=O)N(c3cccc(C(N)=O)c3)C2)cc1OCc1cccnc1.COc1ccc([C@H]2CC(=O)N(c3cccc(N)c3)C2)cc1OC(C)C#N.COc1ccc([C@H]2CC(=O)N(c3cccc(NCCCC#N)c3)C2)cc1OCCCC#N
InChIInChI=1S/C25H28N4O3.C24H23N3O4.C20H21N3O3/c1-31-23-10-9-19(15-24(23)32-14-5-3-12-27)20-16-25(30)29(18-20)22-8-6-7-21(17-22)28-13-4-2-11-26;1-30-21-8-7-17(11-22(21)31-15-16-4-3-9-26-13-16)19-12-23(28)27(14-19)20-6-2-5-18(10-20)24(25)29;1-13(11-21)26-19-8-14(6-7-18(19)25-2)15-9-20(24)23(12-15)17-5-3-4-16(22)10-17/h6-10,15,17,20,28H,2-5,13-14,16,18H2,1H3;2-11,13,19H,12,14-15H2,1H3,(H2,25,29);3-8,10,13,15H,9,12,22H2,1-2H3/t20-;;13?,15-/m0.0/s1
InChIKeyVSCJIRUJTXBAFI-LGFUFFPSSA-N
MW1201.39 g/mol
LogP10.99
Rot. Bonds23

About 2-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]propanenitrile;4-[3-[(4R)-4-[3-(3-cyanopropoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]anilino]butanenitrile;3-[4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide

2-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]propanenitrile;4-[3-[(4R)-4-[3-(3-cyanopropoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]anilino]butanenitrile;3-[4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide (PubChem CID 161384087) has the molecular formula C69H72N10O10 and a molecular weight of 1201.39 g/mol. Its IUPAC name is 2-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]propanenitrile;4-[3-[(4R)-4-[3-(3-cyanopropoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]anilino]butanenitrile;3-[4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide.

Molecular Properties

Compound Name2-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]propanenitrile;4-[3-[(4R)-4-[3-(3-cyanopropoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]anilino]butanenitrile;3-[4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide
PubChem CID161384087
Molecular FormulaC69H72N10O10
Molecular Weight1201.39 g/mol
Exact Mass1200.54
IUPAC Name2-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]propanenitrile;4-[3-[(4R)-4-[3-(3-cyanopropoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]anilino]butanenitrile;3-[4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide
SMILESCOc1ccc(C2CC(=O)N(c3cccc(C(N)=O)c3)C2)cc1OCc1cccnc1.COc1ccc([C@H]2CC(=O)N(c3cccc(N)c3)C2)cc1OC(C)C#N.COc1ccc([C@H]2CC(=O)N(c3cccc(NCCCC#N)c3)C2)cc1OCCCC#N
InChIInChI=1S/C25H28N4O3.C24H23N3O4.C20H21N3O3/c1-31-23-10-9-19(15-24(23)32-14-5-3-12-27)20-16-25(30)29(18-20)22-8-6-7-21(17-22)28-13-4-2-11-26;1-30-21-8-7-17(11-22(21)31-15-16-4-3-9-26-13-16)19-12-23(28)27(14-19)20-6-2-5-18(10-20)24(25)29;1-13(11-21)26-19-8-14(6-7-18(19)25-2)15-9-20(24)23(12-15)17-5-3-4-16(22)10-17/h6-10,15,17,20,28H,2-5,13-14,16,18H2,1H3;2-11,13,19H,12,14-15H2,1H3,(H2,25,29);3-8,10,13,15H,9,12,22H2,1-2H3/t20-;;13?,15-/m0.0/s1
InChIKeyVSCJIRUJTXBAFI-LGFUFFPSSA-N
XLogP10.99
TPSA281.71 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds23
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001201.39
LogP ≤ 510.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]propanenitrile;4-[3-[(4R)-4-[3-(3-cyanopropoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]anilino]butanenitrile;3-[4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide with MolForge

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Related Compounds

4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide
CID 45488409
3-fluoro-5-{[rel-(2S,6R)-17-methoxy-7-oxo-4-(3-pyridinylacetyl)-15-oxa-4,8,12-triazatricyclo[14.3.1.0~2,6~]icosa-1(20),16,18-trien-12-yl]carbonyl}benzonitrile
CID 164688220
4-[(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 57566829
(4R)-1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]pyrrolidin-2-one
CID 57887112
3-[4-[4-Methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide
CID 57887145
(3R)-3-[3-(3,4-diethoxyphenyl)-1-(pyridin-3-ylmethoxy)propyl]-2,3-dihydroisoindol-1-one;3-[3-(3,4-dimethoxyphenyl)-1-(pyridin-3-ylmethoxy)propyl]-2,3-dihydroisoindol-1-one
CID 67579470
4-[4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 68828383
5-[4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 68828384
4-[4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 68829500
5-[(4R)-4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 70966666
4-[(4R)-4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 70966667
(4R)-1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]pyrrolidin-2-one;(4R)-1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrrolidin-2-one;5-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]pentanenitrile
CID 157559467

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]propanenitrile;4-[3-[(4R)-4-[3-(3-cyanopropoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]anilino]butanenitrile;3-[4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide?
The IUPAC name of 2-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]propanenitrile;4-[3-[(4R)-4-[3-(3-cyanopropoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]anilino]butanenitrile;3-[4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide (CID 161384087) is 2-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]propanenitrile;4-[3-[(4R)-4-[3-(3-cyanopropoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]anilino]butanenitrile;3-[4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide.
What is the SMILES notation for 2-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]propanenitrile;4-[3-[(4R)-4-[3-(3-cyanopropoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]anilino]butanenitrile;3-[4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide?
The canonical SMILES for 2-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]propanenitrile;4-[3-[(4R)-4-[3-(3-cyanopropoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]anilino]butanenitrile;3-[4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide is COc1ccc(C2CC(=O)N(c3cccc(C(N)=O)c3)C2)cc1OCc1cccnc1.COc1ccc([C@H]2CC(=O)N(c3cccc(N)c3)C2)cc1OC(C)C#N.COc1ccc([C@H]2CC(=O)N(c3cccc(NCCCC#N)c3)C2)cc1OCCCC#N.
What is the InChIKey of 2-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]propanenitrile;4-[3-[(4R)-4-[3-(3-cyanopropoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]anilino]butanenitrile;3-[4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide?
The InChIKey is VSCJIRUJTXBAFI-LGFUFFPSSA-N. The full InChI is InChI=1S/C25H28N4O3.C24H23N3O4.C20H21N3O3/c1-31-23-10-9-19(15-24(23)32-14-5-3-12-27)20-16-25(30)29(18-20)22-8-6-7-21(17-22)28-13-4-2-11-26;1-30-21-8-7-17(11-22(21)31-15-16-4-3-9-26-13-16)19-12-23(28)27(14-19)20-6-2-5-18(10-20)24(25)29;1-13(11-21)26-19-8-14(6-7-18(19)25-2)15-9-20(24)23(12-15)17-5-3-4-16(22)10-17/h6-10,15,17,20,28H,2-5,13-14,16,18H2,1H3;2-11,13,19H,12,14-15H2,1H3,(H2,25,29);3-8,10,13,15H,9,12,22H2,1-2H3/t20-;;13?,15-/m0.0/s1.
What are the key properties of 2-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]propanenitrile;4-[3-[(4R)-4-[3-(3-cyanopropoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]anilino]butanenitrile;3-[4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide?
2-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]propanenitrile;4-[3-[(4R)-4-[3-(3-cyanopropoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]anilino]butanenitrile;3-[4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide has a molecular weight of 1201.39 g/mol, XLogP of 10.99, 23 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3R)-1-(3-aminophenyl)-5-oxopyrrolidin-3-yl]-2-methoxyphenoxy]propanenitrile;4-[3-[(4R)-4-[3-(3-cyanopropoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]anilino]butanenitrile;3-[4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide is sourced from PubChem (CID 161384087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).