4-[[(1R)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-2-carboxamide;5-[[(1S)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-3-carboxamide

C58H66N10O14S2 — CID 157102687

IUPAC4-[[(1R)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-2-carboxamide;5-[[(1S)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-3-carboxamide
SMILESCOc1ccc([C@@H](Nc2ccnc(C(N)=O)c2)C(=O)N2CCC[C@@H]2c2cc(NC(C)=O)ccc2S(C)(=O)=O)cc1OC.COc1ccc([C@H](Nc2cncc(C(N)=O)c2)C(=O)N2CCC[C@@H]2c2cc(NC(C)=O)ccc2S(C)(=O)=O)cc1OC
InChIInChI=1S/2C29H33N5O7S/c1-17(35)32-19-8-10-26(42(4,38)39)21(15-19)23-6-5-13-34(23)29(37)27(18-7-9-24(40-2)25(14-18)41-3)33-20-11-12-31-22(16-20)28(30)36;1-17(35)32-20-8-10-26(42(4,38)39)22(14-20)23-6-5-11-34(23)29(37)27(18-7-9-24(40-2)25(13-18)41-3)33-21-12-19(28(30)36)15-31-16-21/h7-12,14-16,23,27H,5-6,13H2,1-4H3,(H2,30,36)(H,31,33)(H,32,35);7-10,12-16,23,27,33H,5-6,11H2,1-4H3,(H2,30,36)(H,32,35)/t23-,27-;23-,27+/m11/s1
InChIKeyAFYFEYUUOLIZCM-GRZGYZQESA-N
MW1191.36 g/mol
LogP6.15
Rot. Bonds20

About 4-[[(1R)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-2-carboxamide;5-[[(1S)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-3-carboxamide

4-[[(1R)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-2-carboxamide;5-[[(1S)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-3-carboxamide (PubChem CID 157102687) has the molecular formula C58H66N10O14S2 and a molecular weight of 1191.36 g/mol. Its IUPAC name is 4-[[(1R)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-2-carboxamide;5-[[(1S)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[(1R)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-2-carboxamide;5-[[(1S)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-3-carboxamide
PubChem CID157102687
Molecular FormulaC58H66N10O14S2
Molecular Weight1191.36 g/mol
Exact Mass1190.42
IUPAC Name4-[[(1R)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-2-carboxamide;5-[[(1S)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-3-carboxamide
SMILESCOc1ccc([C@@H](Nc2ccnc(C(N)=O)c2)C(=O)N2CCC[C@@H]2c2cc(NC(C)=O)ccc2S(C)(=O)=O)cc1OC.COc1ccc([C@H](Nc2cncc(C(N)=O)c2)C(=O)N2CCC[C@@H]2c2cc(NC(C)=O)ccc2S(C)(=O)=O)cc1OC
InChIInChI=1S/2C29H33N5O7S/c1-17(35)32-19-8-10-26(42(4,38)39)21(15-19)23-6-5-13-34(23)29(37)27(18-7-9-24(40-2)25(14-18)41-3)33-20-11-12-31-22(16-20)28(30)36;1-17(35)32-20-8-10-26(42(4,38)39)22(14-20)23-6-5-11-34(23)29(37)27(18-7-9-24(40-2)25(13-18)41-3)33-21-12-19(28(30)36)15-31-16-21/h7-12,14-16,23,27H,5-6,13H2,1-4H3,(H2,30,36)(H,31,33)(H,32,35);7-10,12-16,23,27,33H,5-6,11H2,1-4H3,(H2,30,36)(H,32,35)/t23-,27-;23-,27+/m11/s1
InChIKeyAFYFEYUUOLIZCM-GRZGYZQESA-N
XLogP6.15
TPSA340.04 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001191.36
LogP ≤ 56.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 4-[[(1R)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-2-carboxamide;5-[[(1S)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-3-carboxamide 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

3-[[(1R)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]-4-fluorobenzamide
CID 70569312
methyl (2R,3S)-2-(5-acetamido-2-methylsulfonylphenyl)-1-[(2R)-2-(3-carbamoylanilino)-2-(3,4-dimethoxyphenyl)acetyl]pyrrolidine-3-carboxylate
CID 70568923
methyl N-[3-[(2R)-1-[(2S)-2-(3-carbamoyl-5-methylanilino)-2-(3,4-dimethoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylsulfonylphenyl]carbamate
CID 163819084
methyl N-[3-[(2R)-1-[(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-(4-fluoro-3-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylsulfonylphenyl]carbamate
CID 143261444
3-[[(1R)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]-4-fluorobenzamide;5-[[(1S)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]-2-fluorobenzamide;3-[[(1R)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3-ethoxy-4-propan-2-yloxyphenyl)-2-oxoethyl]amino]benzamide;3-[[(1S)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3-ethoxy-4-propan-2-yloxyphenyl)-2-oxoethyl]amino]benzamide;5-[[(1R)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3-methoxy-4-methylphenyl)-2-oxoethyl]amino]-2-fluorobenzamide
CID 157481192
methyl N-[3-[(2S)-1-[(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-(3,4-dimethoxyphenyl)acetyl]pyrrolidin-2-yl]-4-propan-2-ylsulfonylphenyl]carbamate
CID 134140132
methyl N-[3-[1-[2-(3-carbamoylanilino)-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetyl]pyrrolidin-2-yl]-4-propan-2-ylsulfonylphenyl]carbamate
CID 68500223
methyl N-[3-[(2R)-1-[(2S)-2-[(1-aminoisoquinolin-6-yl)amino]-2-(3,4-dimethoxyphenyl)acetyl]pyrrolidin-2-yl]-4-sulfanylphenyl]carbamate
CID 70953777
methyl N-[3-[(2R)-1-[(2R)-2-(3,4-dimethoxyphenyl)-2-[(3-hydroxy-2H-isoindol-5-yl)amino]acetyl]pyrrolidin-2-yl]-4-propan-2-ylsulfonylphenyl]carbamate
CID 90716324
methyl N-[3-[1-[2-(5-carbamoyl-2-fluoroanilino)-2-(4-fluoro-3-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-cyclopropylsulfonylphenyl]carbamate
CID 68503172
methyl N-[3-[(2R)-1-[(2R)-2-[(4-chloro-1-oxo-2H-isoquinolin-7-yl)amino]-2-(3,4-dimethoxyphenyl)acetyl]pyrrolidin-2-yl]-4-propan-2-ylsulfonylphenyl]carbamate
CID 25001820
methyl N-[3-[1-[2-(3,4-dimethoxyphenyl)-2-[(4-methyl-1-oxo-2H-isoquinolin-7-yl)amino]acetyl]pyrrolidin-2-yl]-4-propan-2-ylsulfonylphenyl]carbamate
CID 67440264

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-2-carboxamide;5-[[(1S)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-3-carboxamide?
The IUPAC name of 4-[[(1R)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-2-carboxamide;5-[[(1S)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-3-carboxamide (CID 157102687) is 4-[[(1R)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-2-carboxamide;5-[[(1S)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[(1R)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-2-carboxamide;5-[[(1S)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 4-[[(1R)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-2-carboxamide;5-[[(1S)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-3-carboxamide is COc1ccc([C@@H](Nc2ccnc(C(N)=O)c2)C(=O)N2CCC[C@@H]2c2cc(NC(C)=O)ccc2S(C)(=O)=O)cc1OC.COc1ccc([C@H](Nc2cncc(C(N)=O)c2)C(=O)N2CCC[C@@H]2c2cc(NC(C)=O)ccc2S(C)(=O)=O)cc1OC.
What is the InChIKey of 4-[[(1R)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-2-carboxamide;5-[[(1S)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-3-carboxamide?
The InChIKey is AFYFEYUUOLIZCM-GRZGYZQESA-N. The full InChI is InChI=1S/2C29H33N5O7S/c1-17(35)32-19-8-10-26(42(4,38)39)21(15-19)23-6-5-13-34(23)29(37)27(18-7-9-24(40-2)25(14-18)41-3)33-20-11-12-31-22(16-20)28(30)36;1-17(35)32-20-8-10-26(42(4,38)39)22(14-20)23-6-5-11-34(23)29(37)27(18-7-9-24(40-2)25(13-18)41-3)33-21-12-19(28(30)36)15-31-16-21/h7-12,14-16,23,27H,5-6,13H2,1-4H3,(H2,30,36)(H,31,33)(H,32,35);7-10,12-16,23,27,33H,5-6,11H2,1-4H3,(H2,30,36)(H,32,35)/t23-,27-;23-,27+/m11/s1.
What are the key properties of 4-[[(1R)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-2-carboxamide;5-[[(1S)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-3-carboxamide?
4-[[(1R)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-2-carboxamide;5-[[(1S)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-3-carboxamide has a molecular weight of 1191.36 g/mol, XLogP of 6.15, 20 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-2-carboxamide;5-[[(1S)-2-[(2R)-2-(5-acetamido-2-methylsulfonylphenyl)pyrrolidin-1-yl]-1-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 157102687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).