4-[(4R)-4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide;4-[(4R)-4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide

C48H42N8O9 — CID 158649914

IUPAC4-[(4R)-4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide;4-[(4R)-4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide
SMILESCOc1ccc([C@H]2CC(=O)N(c3ccnc(C(N)=O)c3)C2)cc1Oc1ccccc1C#N.COc1ccc([C@H]2CC(=O)N(c3ccnc(C(N)=O)c3)C2)cc1Oc1ccccc1C(N)=O
InChIInChI=1S/C24H22N4O5.C24H20N4O4/c1-32-20-7-6-14(10-21(20)33-19-5-3-2-4-17(19)23(25)30)15-11-22(29)28(13-15)16-8-9-27-18(12-16)24(26)31;1-31-21-7-6-15(10-22(21)32-20-5-3-2-4-16(20)13-25)17-11-23(29)28(14-17)18-8-9-27-19(12-18)24(26)30/h2-10,12,15H,11,13H2,1H3,(H2,25,30)(H2,26,31);2-10,12,17H,11,14H2,1H3,(H2,26,30)/t15-;17-/m00/s1
InChIKeyIBKOZQYBTQSXMI-JUVBYLIASA-N
MW874.91 g/mol
LogP5.97
Rot. Bonds13

About 4-[(4R)-4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide;4-[(4R)-4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide

4-[(4R)-4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide;4-[(4R)-4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide (PubChem CID 158649914) has the molecular formula C48H42N8O9 and a molecular weight of 874.91 g/mol. Its IUPAC name is 4-[(4R)-4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide;4-[(4R)-4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(4R)-4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide;4-[(4R)-4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide
PubChem CID158649914
Molecular FormulaC48H42N8O9
Molecular Weight874.91 g/mol
Exact Mass874.31
IUPAC Name4-[(4R)-4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide;4-[(4R)-4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide
SMILESCOc1ccc([C@H]2CC(=O)N(c3ccnc(C(N)=O)c3)C2)cc1Oc1ccccc1C#N.COc1ccc([C@H]2CC(=O)N(c3ccnc(C(N)=O)c3)C2)cc1Oc1ccccc1C(N)=O
InChIInChI=1S/C24H22N4O5.C24H20N4O4/c1-32-20-7-6-14(10-21(20)33-19-5-3-2-4-17(19)23(25)30)15-11-22(29)28(13-15)16-8-9-27-18(12-16)24(26)31;1-31-21-7-6-15(10-22(21)32-20-5-3-2-4-16(20)13-25)17-11-23(29)28(14-17)18-8-9-27-19(12-18)24(26)30/h2-10,12,15H,11,13H2,1H3,(H2,25,30)(H2,26,31);2-10,12,17H,11,14H2,1H3,(H2,26,30)/t15-;17-/m00/s1
InChIKeyIBKOZQYBTQSXMI-JUVBYLIASA-N
XLogP5.97
TPSA256.38 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500874.91
LogP ≤ 55.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 4-[(4R)-4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide;4-[(4R)-4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

5-[(4R)-4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide
CID 57566778
4-[(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 57566829
4-[(4R)-4-(3-hydroxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 57566858
4-[(4R)-4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide
CID 57566949
4-[(4R)-4-[3-(2,6-dimethylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 57566951
4-[(4R)-4-[3-(2-isocyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 57566981
4-[(4R)-4-[3-(2,6-dimethylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide
CID 57566999
4-[(4R)-4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide
CID 57567114
5-[(4R)-4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide
CID 57567136
5-[4-[3-(2-Carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide
CID 68828373
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

Frequently Asked Questions

What is the IUPAC name of 4-[(4R)-4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide;4-[(4R)-4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[(4R)-4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide;4-[(4R)-4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide (CID 158649914) is 4-[(4R)-4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide;4-[(4R)-4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(4R)-4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide;4-[(4R)-4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[(4R)-4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide;4-[(4R)-4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide is COc1ccc([C@H]2CC(=O)N(c3ccnc(C(N)=O)c3)C2)cc1Oc1ccccc1C#N.COc1ccc([C@H]2CC(=O)N(c3ccnc(C(N)=O)c3)C2)cc1Oc1ccccc1C(N)=O.
What is the InChIKey of 4-[(4R)-4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide;4-[(4R)-4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide?
The InChIKey is IBKOZQYBTQSXMI-JUVBYLIASA-N. The full InChI is InChI=1S/C24H22N4O5.C24H20N4O4/c1-32-20-7-6-14(10-21(20)33-19-5-3-2-4-17(19)23(25)30)15-11-22(29)28(13-15)16-8-9-27-18(12-16)24(26)31;1-31-21-7-6-15(10-22(21)32-20-5-3-2-4-16(20)13-25)17-11-23(29)28(14-17)18-8-9-27-19(12-18)24(26)30/h2-10,12,15H,11,13H2,1H3,(H2,25,30)(H2,26,31);2-10,12,17H,11,14H2,1H3,(H2,26,30)/t15-;17-/m00/s1.
What are the key properties of 4-[(4R)-4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide;4-[(4R)-4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide?
4-[(4R)-4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide;4-[(4R)-4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide has a molecular weight of 874.91 g/mol, XLogP of 5.97, 13 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R)-4-[3-(2-carbamoylphenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide;4-[(4R)-4-[3-(2-cyanophenoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 158649914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).