4-(2-anilino-2-oxoacetyl)-N-(3-fluoro-4-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-chloro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;1,3,5-trimethyl-N-(6-methyl-3-pyridinyl)-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]-N-phenylpyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]-N-pyrimidin-5-ylpyrrole-2-carboxamide

C119H118ClFN22O18 — CID 157306998

About 4-(2-anilino-2-oxoacetyl)-N-(3-fluoro-4-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-chloro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;1,3,5-trimethyl-N-(6-methyl-3-pyridinyl)-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]-N-phenylpyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]-N-pyrimidin-5-ylpyrrole-2-carboxamide

4-(2-anilino-2-oxoacetyl)-N-(3-fluoro-4-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-chloro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;1,3,5-trimethyl-N-(6-methyl-3-pyridinyl)-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]-N-phenylpyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]-N-pyrimidin-5-ylpyrrole-2-carboxamide (PubChem CID 157306998) has the molecular formula C119H118ClFN22O18 and a molecular weight of 2198.84 g/mol. Its IUPAC name is 4-(2-anilino-2-oxoacetyl)-N-(3-fluoro-4-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-chloro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;1,3,5-trimethyl-N-(6-methyl-3-pyridinyl)-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]-N-phenylpyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]-N-pyrimidin-5-ylpyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 4-(2-anilino-2-oxoacetyl)-N-(3-fluoro-4-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-chloro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;1,3,5-trimethyl-N-(6-methyl-3-pyridinyl)-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]-N-phenylpyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]-N-pyrimidin-5-ylpyrrole-2-carboxamide
• PubChem CID: 157306998
• Molecular Formula: C119H118ClFN22O18
• Molecular Weight: 2198.84 g/mol
• Exact Mass: 2196.87
• IUPAC Name: 4-(2-anilino-2-oxoacetyl)-N-(3-fluoro-4-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-chloro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;1,3,5-trimethyl-N-(6-methyl-3-pyridinyl)-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]-N-phenylpyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]-N-pyrimidin-5-ylpyrrole-2-carboxamide
• SMILES: C#CCNC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(C)c(C#N)c2)n(C)c1C.C#CCNC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(C)c(Cl)c2)n(C)c1C.C#CCNC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(C)nc2)n(C)c1C.C#CCNC(=O)C(=O)c1c(C)c(C(=O)Nc2ccccc2)n(C)c1C.C#CCNC(=O)C(=O)c1c(C)c(C(=O)Nc2cncnc2)n(C)c1C.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)Nc3ccccc3)c(C)n2C)cc1F
• InChI: InChI=1S/C23H22FN3O3.C21H20N4O3.C20H20ClN3O3.C19H20N4O3.C19H19N3O3.C17H17N5O3/c1-13-10-11-17(12-18(13)24)26-22(29)20-14(2)19(15(3)27(20)4)21(28)23(30)25-16-8-6-5-7-9-16;1-6-9-23-21(28)19(26)17-13(3)18(25(5)14(17)4)20(27)24-16-8-7-12(2)15(10-16)11-22;1-6-9-22-20(27)18(25)16-12(3)17(24(5)13(16)4)19(26)23-14-8-7-11(2)15(21)10-14;1-6-9-20-19(26)17(24)15-12(3)16(23(5)13(15)4)18(25)22-14-8-7-11(2)21-10-14;1-5-11-20-19(25)17(23)15-12(2)16(22(4)13(15)3)18(24)21-14-9-7-6-8-10-14;1-5-6-20-17(25)15(23)13-10(2)14(22(4)11(13)3)16(24)21-12-7-18-9-19-8-12/h5-12H,1-4H3,(H,25,30)(H,26,29);1,7-8,10H,9H2,2-5H3,(H,23,28)(H,24,27);1,7-8,10H,9H2,2-5H3,(H,22,27)(H,23,26);1,7-8,10H,9H2,2-5H3,(H,20,26)(H,22,25);1,6-10H,11H2,2-4H3,(H,20,25)(H,21,24);1,7-9H,6H2,2-4H3,(H,20,25)(H,21,24)
• InChIKey: BCPGIEXQGCGHHZ-UHFFFAOYSA-N
• XLogP: 12.93
• TPSA: 543.66 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 28
• Rotatable Bonds: 30
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2198.84
LogP ≤ 5	12.93
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2-anilino-2-oxoacetyl)-N-(3-fluoro-4-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-chloro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;1,3,5-trimethyl-N-(6-methyl-3-pyridinyl)-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]-N-phenylpyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]-N-pyrimidin-5-ylpyrrole-2-carboxamide?

The IUPAC name of 4-(2-anilino-2-oxoacetyl)-N-(3-fluoro-4-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-chloro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;1,3,5-trimethyl-N-(6-methyl-3-pyridinyl)-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]-N-phenylpyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]-N-pyrimidin-5-ylpyrrole-2-carboxamide (CID 157306998) is 4-(2-anilino-2-oxoacetyl)-N-(3-fluoro-4-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-chloro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;1,3,5-trimethyl-N-(6-methyl-3-pyridinyl)-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]-N-phenylpyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]-N-pyrimidin-5-ylpyrrole-2-carboxamide.

What is the SMILES notation for 4-(2-anilino-2-oxoacetyl)-N-(3-fluoro-4-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-chloro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;1,3,5-trimethyl-N-(6-methyl-3-pyridinyl)-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]-N-phenylpyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]-N-pyrimidin-5-ylpyrrole-2-carboxamide?

The canonical SMILES for 4-(2-anilino-2-oxoacetyl)-N-(3-fluoro-4-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-chloro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;1,3,5-trimethyl-N-(6-methyl-3-pyridinyl)-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]-N-phenylpyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]-N-pyrimidin-5-ylpyrrole-2-carboxamide is C#CCNC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(C)c(C#N)c2)n(C)c1C.C#CCNC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(C)c(Cl)c2)n(C)c1C.C#CCNC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(C)nc2)n(C)c1C.C#CCNC(=O)C(=O)c1c(C)c(C(=O)Nc2ccccc2)n(C)c1C.C#CCNC(=O)C(=O)c1c(C)c(C(=O)Nc2cncnc2)n(C)c1C.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)Nc3ccccc3)c(C)n2C)cc1F.

What is the InChIKey of 4-(2-anilino-2-oxoacetyl)-N-(3-fluoro-4-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-chloro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;1,3,5-trimethyl-N-(6-methyl-3-pyridinyl)-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]-N-phenylpyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]-N-pyrimidin-5-ylpyrrole-2-carboxamide?

The InChIKey is BCPGIEXQGCGHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3.C21H20N4O3.C20H20ClN3O3.C19H20N4O3.C19H19N3O3.C17H17N5O3/c1-13-10-11-17(12-18(13)24)26-22(29)20-14(2)19(15(3)27(20)4)21(28)23(30)25-16-8-6-5-7-9-16;1-6-9-23-21(28)19(26)17-13(3)18(25(5)14(17)4)20(27)24-16-8-7-12(2)15(10-16)11-22;1-6-9-22-20(27)18(25)16-12(3)17(24(5)13(16)4)19(26)23-14-8-7-11(2)15(21)10-14;1-6-9-20-19(26)17(24)15-12(3)16(23(5)13(15)4)18(25)22-14-8-7-11(2)21-10-14;1-5-11-20-19(25)17(23)15-12(2)16(22(4)13(15)3)18(24)21-14-9-7-6-8-10-14;1-5-6-20-17(25)15(23)13-10(2)14(22(4)11(13)3)16(24)21-12-7-18-9-19-8-12/h5-12H,1-4H3,(H,25,30)(H,26,29);1,7-8,10H,9H2,2-5H3,(H,23,28)(H,24,27);1,7-8,10H,9H2,2-5H3,(H,22,27)(H,23,26);1,7-8,10H,9H2,2-5H3,(H,20,26)(H,22,25);1,6-10H,11H2,2-4H3,(H,20,25)(H,21,24);1,7-9H,6H2,2-4H3,(H,20,25)(H,21,24).

What are the key properties of 4-(2-anilino-2-oxoacetyl)-N-(3-fluoro-4-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-chloro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;1,3,5-trimethyl-N-(6-methyl-3-pyridinyl)-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]-N-phenylpyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]-N-pyrimidin-5-ylpyrrole-2-carboxamide?

4-(2-anilino-2-oxoacetyl)-N-(3-fluoro-4-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-chloro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;1,3,5-trimethyl-N-(6-methyl-3-pyridinyl)-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]-N-phenylpyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]-N-pyrimidin-5-ylpyrrole-2-carboxamide has a molecular weight of 2198.84 g/mol, XLogP of 12.93, 30 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-anilino-2-oxoacetyl)-N-(3-fluoro-4-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-chloro-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;1,3,5-trimethyl-N-(6-methyl-3-pyridinyl)-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]-N-phenylpyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]-N-pyrimidin-5-ylpyrrole-2-carboxamide is sourced from PubChem (CID 157306998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).