N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(2-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(6-phenylpyridazin-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-phenyl-2H-triazole-4-carboxamide

C151H144N28O19S — CID 167573562

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(2-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(6-phenylpyridazin-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-phenyl-2H-triazole-4-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(2-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(6-phenylpyridazin-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-phenyl-2H-triazole-4-carboxamide (PubChem CID 167573562) has the molecular formula C151H144N28O19S and a molecular weight of 2687.06 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(2-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(6-phenylpyridazin-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-phenyl-2H-triazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(2-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(6-phenylpyridazin-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-phenyl-2H-triazole-4-carboxamide
• PubChem CID: 167573562
• Molecular Formula: C151H144N28O19S
• Molecular Weight: 2687.06 g/mol
• Exact Mass: 2685.09
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(2-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(6-phenylpyridazin-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-phenyl-2H-triazole-4-carboxamide
• SMILES: Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)n(-c2nc(-c3ccccc3)cs2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(-c3ccccc3C)cc2)n1.Cc1cc(C)nc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)c1.Cc1noc(-c2ccccc2)c1C(=O)NC(CCc1ccccc1)C(=O)C(N)=O.O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1cncn1-c1ccc(-c2ccccc2)nn1.O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1n[nH]nc1-c1ccccc1
• InChI: InChI=1S/C28H26N4O3.C27H24N6O3.C27H25N5O3S.C25H27N5O3.C22H21N5O3.C22H21N3O4/c1-18-8-6-7-11-23(18)21-12-14-22(15-13-21)32-25(16-19(2)31-32)28(35)30-24(26(33)27(29)34)17-20-9-4-3-5-10-20;34-25(27(36)29-20-11-12-20)22(15-18-7-3-1-4-8-18)30-26(35)23-16-28-17-33(23)24-14-13-21(31-32-24)19-9-5-2-6-10-19;1-17-14-23(32(31-17)27-30-22(16-36-27)19-10-6-3-7-11-19)25(34)29-21(15-18-8-4-2-5-9-18)24(33)26(35)28-20-12-13-20;1-15-11-16(2)26-22(12-15)30-21(13-17(3)29-30)24(32)28-20(14-18-7-5-4-6-8-18)23(31)25(33)27-19-9-10-19;28-20(22(30)23-16-11-12-16)17(13-14-7-3-1-4-8-14)24-21(29)19-18(25-27-26-19)15-9-5-2-6-10-15;1-14-18(20(29-25-14)16-10-6-3-7-11-16)22(28)24-17(19(26)21(23)27)13-12-15-8-4-2-5-9-15/h3-16,24H,17H2,1-2H3,(H2,29,34)(H,30,35);1-10,13-14,16-17,20,22H,11-12,15H2,(H,29,36)(H,30,35);2-11,14,16,20-21H,12-13,15H2,1H3,(H,28,35)(H,29,34);4-8,11-13,19-20H,9-10,14H2,1-3H3,(H,27,33)(H,28,32);1-10,16-17H,11-13H2,(H,23,30)(H,24,29)(H,25,26,27);2-11,17H,12-13H2,1H3,(H2,23,27)(H,24,28)
• InChIKey: GFNWRGVONIFJQY-UHFFFAOYSA-N
• XLogP: 16.04
• TPSA: 670.04 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 35
• Rotatable Bonds: 50
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2687.06
LogP ≤ 5	16.04
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(2-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(6-phenylpyridazin-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-phenyl-2H-triazole-4-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(2-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(6-phenylpyridazin-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-phenyl-2H-triazole-4-carboxamide (CID 167573562) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(2-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(6-phenylpyridazin-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-phenyl-2H-triazole-4-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(2-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(6-phenylpyridazin-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-phenyl-2H-triazole-4-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(2-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(6-phenylpyridazin-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-phenyl-2H-triazole-4-carboxamide is Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)n(-c2nc(-c3ccccc3)cs2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(-c3ccccc3C)cc2)n1.Cc1cc(C)nc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)c1.Cc1noc(-c2ccccc2)c1C(=O)NC(CCc1ccccc1)C(=O)C(N)=O.O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1cncn1-c1ccc(-c2ccccc2)nn1.O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1n[nH]nc1-c1ccccc1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(2-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(6-phenylpyridazin-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-phenyl-2H-triazole-4-carboxamide?

The InChIKey is GFNWRGVONIFJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3.C27H24N6O3.C27H25N5O3S.C25H27N5O3.C22H21N5O3.C22H21N3O4/c1-18-8-6-7-11-23(18)21-12-14-22(15-13-21)32-25(16-19(2)31-32)28(35)30-24(26(33)27(29)34)17-20-9-4-3-5-10-20;34-25(27(36)29-20-11-12-20)22(15-18-7-3-1-4-8-18)30-26(35)23-16-28-17-33(23)24-14-13-21(31-32-24)19-9-5-2-6-10-19;1-17-14-23(32(31-17)27-30-22(16-36-27)19-10-6-3-7-11-19)25(34)29-21(15-18-8-4-2-5-9-18)24(33)26(35)28-20-12-13-20;1-15-11-16(2)26-22(12-15)30-21(13-17(3)29-30)24(32)28-20(14-18-7-5-4-6-8-18)23(31)25(33)27-19-9-10-19;28-20(22(30)23-16-11-12-16)17(13-14-7-3-1-4-8-14)24-21(29)19-18(25-27-26-19)15-9-5-2-6-10-15;1-14-18(20(29-25-14)16-10-6-3-7-11-16)22(28)24-17(19(26)21(23)27)13-12-15-8-4-2-5-9-15/h3-16,24H,17H2,1-2H3,(H2,29,34)(H,30,35);1-10,13-14,16-17,20,22H,11-12,15H2,(H,29,36)(H,30,35);2-11,14,16,20-21H,12-13,15H2,1H3,(H,28,35)(H,29,34);4-8,11-13,19-20H,9-10,14H2,1-3H3,(H,27,33)(H,28,32);1-10,16-17H,11-13H2,(H,23,30)(H,24,29)(H,25,26,27);2-11,17H,12-13H2,1H3,(H2,23,27)(H,24,28).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(2-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(6-phenylpyridazin-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-phenyl-2H-triazole-4-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(2-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(6-phenylpyridazin-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-phenyl-2H-triazole-4-carboxamide has a molecular weight of 2687.06 g/mol, XLogP of 16.04, 50 rotatable bonds, 13 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(2-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(6-phenylpyridazin-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-phenyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 167573562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).