N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-quinolin-5-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]imidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-2-yl-1,3-thiazole-5-carboxamide;3-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide;3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide

C107H89N25O16S — CID 159313141

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-quinolin-5-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]imidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-2-yl-1,3-thiazole-5-carboxamide;3-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide;3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-quinolin-5-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]imidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-2-yl-1,3-thiazole-5-carboxamide;3-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide;3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide (PubChem CID 159313141) has the molecular formula C107H89N25O16S and a molecular weight of 2013.11 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-quinolin-5-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]imidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-2-yl-1,3-thiazole-5-carboxamide;3-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide;3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-quinolin-5-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]imidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-2-yl-1,3-thiazole-5-carboxamide;3-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide;3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide
• PubChem CID: 159313141
• Molecular Formula: C107H89N25O16S
• Molecular Weight: 2013.11 g/mol
• Exact Mass: 2011.66
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-quinolin-5-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]imidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-2-yl-1,3-thiazole-5-carboxamide;3-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide;3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide
• SMILES: Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cccc3ncccc23)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cncn1-c1ccc(-c2ncco2)cn1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1scnc1-c1ccccn1.O=CC(Cc1ccccc1)NC(=O)c1cncn1-c1cc(-c2ncco2)ccn1.O=CC(Cc1ccccc1)NC(=O)c1cncn1-c1ccc(-c2ncco2)cn1
• InChI: InChI=1S/C24H21N5O3.C22H18N6O4.2C21H17N5O3.C19H16N4O3S/c1-15-13-21(29(28-15)20-11-5-10-18-17(20)9-6-12-26-18)24(32)27-19(22(30)23(25)31)14-16-7-3-2-4-8-16;23-20(30)19(29)16(10-14-4-2-1-3-5-14)27-21(31)17-12-24-13-28(17)18-7-6-15(11-26-18)22-25-8-9-32-22;27-13-17(10-15-4-2-1-3-5-15)25-20(28)18-12-22-14-26(18)19-11-16(6-7-23-19)21-24-8-9-29-21;27-13-17(10-15-4-2-1-3-5-15)25-20(28)18-12-22-14-26(18)19-7-6-16(11-24-19)21-23-8-9-29-21;20-18(25)16(24)14(10-12-6-2-1-3-7-12)23-19(26)17-15(22-11-27-17)13-8-4-5-9-21-13/h2-13,19H,14H2,1H3,(H2,25,31)(H,27,32);1-9,11-13,16H,10H2,(H2,23,30)(H,27,31);2*1-9,11-14,17H,10H2,(H,25,28);1-9,11,14H,10H2,(H2,20,25)(H,23,26)
• InChIKey: LCUMCXGCDCSZTR-UHFFFAOYSA-N
• XLogP: 9.97
• TPSA: 586.83 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 36
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2013.11
LogP ≤ 5	9.97
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-quinolin-5-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]imidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-2-yl-1,3-thiazole-5-carboxamide;3-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide;3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-quinolin-5-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]imidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-2-yl-1,3-thiazole-5-carboxamide;3-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide;3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide (CID 159313141) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-quinolin-5-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]imidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-2-yl-1,3-thiazole-5-carboxamide;3-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide;3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-quinolin-5-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]imidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-2-yl-1,3-thiazole-5-carboxamide;3-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide;3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-quinolin-5-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]imidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-2-yl-1,3-thiazole-5-carboxamide;3-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide;3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide is Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cccc3ncccc23)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cncn1-c1ccc(-c2ncco2)cn1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1scnc1-c1ccccn1.O=CC(Cc1ccccc1)NC(=O)c1cncn1-c1cc(-c2ncco2)ccn1.O=CC(Cc1ccccc1)NC(=O)c1cncn1-c1ccc(-c2ncco2)cn1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-quinolin-5-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]imidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-2-yl-1,3-thiazole-5-carboxamide;3-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide;3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide?

The InChIKey is LCUMCXGCDCSZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3.C22H18N6O4.2C21H17N5O3.C19H16N4O3S/c1-15-13-21(29(28-15)20-11-5-10-18-17(20)9-6-12-26-18)24(32)27-19(22(30)23(25)31)14-16-7-3-2-4-8-16;23-20(30)19(29)16(10-14-4-2-1-3-5-14)27-21(31)17-12-24-13-28(17)18-7-6-15(11-26-18)22-25-8-9-32-22;27-13-17(10-15-4-2-1-3-5-15)25-20(28)18-12-22-14-26(18)19-11-16(6-7-23-19)21-24-8-9-29-21;27-13-17(10-15-4-2-1-3-5-15)25-20(28)18-12-22-14-26(18)19-7-6-16(11-24-19)21-23-8-9-29-21;20-18(25)16(24)14(10-12-6-2-1-3-7-12)23-19(26)17-15(22-11-27-17)13-8-4-5-9-21-13/h2-13,19H,14H2,1H3,(H2,25,31)(H,27,32);1-9,11-13,16H,10H2,(H2,23,30)(H,27,31);2*1-9,11-14,17H,10H2,(H,25,28);1-9,11,14H,10H2,(H2,20,25)(H,23,26).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-quinolin-5-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]imidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-2-yl-1,3-thiazole-5-carboxamide;3-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide;3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-quinolin-5-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]imidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-2-yl-1,3-thiazole-5-carboxamide;3-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide;3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide has a molecular weight of 2013.11 g/mol, XLogP of 9.97, 36 rotatable bonds, 8 hydrogen bond donors, and 34 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-quinolin-5-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]imidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-pyridin-2-yl-1,3-thiazole-5-carboxamide;3-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide;3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide is sourced from PubChem (CID 159313141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).