N,3-bis(3,4-dihydroxyphenyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(3-fluoro-4-hydroxyphenyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(5-hydroxy-2-pyridinyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(2-methoxy-4-pyridinyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(5-methoxy-2-pyridinyl)-3-oxopropanamide;2-[[3-(3,4-dihydroxyphenyl)-3-oxopropanoyl]amino]-4-hydroxybenzoic acid;3-(3,4-dimethoxyphenyl)-N-(6-methoxy-2-pyridinyl)-3-oxopropanamide;2-(4-hydroxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,8-dione

C140H120FN15O47S — CID 163966783

About N,3-bis(3,4-dihydroxyphenyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(3-fluoro-4-hydroxyphenyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(5-hydroxy-2-pyridinyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(2-methoxy-4-pyridinyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(5-methoxy-2-pyridinyl)-3-oxopropanamide;2-[[3-(3,4-dihydroxyphenyl)-3-oxopropanoyl]amino]-4-hydroxybenzoic acid;3-(3,4-dimethoxyphenyl)-N-(6-methoxy-2-pyridinyl)-3-oxopropanamide;2-(4-hydroxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,8-dione

N,3-bis(3,4-dihydroxyphenyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(3-fluoro-4-hydroxyphenyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(5-hydroxy-2-pyridinyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(2-methoxy-4-pyridinyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(5-methoxy-2-pyridinyl)-3-oxopropanamide;2-[[3-(3,4-dihydroxyphenyl)-3-oxopropanoyl]amino]-4-hydroxybenzoic acid;3-(3,4-dimethoxyphenyl)-N-(6-methoxy-2-pyridinyl)-3-oxopropanamide;2-(4-hydroxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,8-dione (PubChem CID 163966783) has the molecular formula C140H120FN15O47S and a molecular weight of 2815.62 g/mol. Its IUPAC name is N,3-bis(3,4-dihydroxyphenyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(3-fluoro-4-hydroxyphenyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(5-hydroxy-2-pyridinyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(2-methoxy-4-pyridinyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(5-methoxy-2-pyridinyl)-3-oxopropanamide;2-[[3-(3,4-dihydroxyphenyl)-3-oxopropanoyl]amino]-4-hydroxybenzoic acid;3-(3,4-dimethoxyphenyl)-N-(6-methoxy-2-pyridinyl)-3-oxopropanamide;2-(4-hydroxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,8-dione.

Molecular Properties

• Compound Name: N,3-bis(3,4-dihydroxyphenyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(3-fluoro-4-hydroxyphenyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(5-hydroxy-2-pyridinyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(2-methoxy-4-pyridinyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(5-methoxy-2-pyridinyl)-3-oxopropanamide;2-[[3-(3,4-dihydroxyphenyl)-3-oxopropanoyl]amino]-4-hydroxybenzoic acid;3-(3,4-dimethoxyphenyl)-N-(6-methoxy-2-pyridinyl)-3-oxopropanamide;2-(4-hydroxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,8-dione
• PubChem CID: 163966783
• Molecular Formula: C140H120FN15O47S
• Molecular Weight: 2815.62 g/mol
• Exact Mass: 2813.72
• IUPAC Name: N,3-bis(3,4-dihydroxyphenyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(3-fluoro-4-hydroxyphenyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(5-hydroxy-2-pyridinyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(2-methoxy-4-pyridinyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(5-methoxy-2-pyridinyl)-3-oxopropanamide;2-[[3-(3,4-dihydroxyphenyl)-3-oxopropanoyl]amino]-4-hydroxybenzoic acid;3-(3,4-dimethoxyphenyl)-N-(6-methoxy-2-pyridinyl)-3-oxopropanamide;2-(4-hydroxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,8-dione
• SMILES: COc1cc(NC(=O)CC(=O)c2ccc(O)c(O)c2)ccn1.COc1ccc(NC(=O)CC(=O)c2ccc(O)c(O)c2)nc1.COc1cccc(NC(=O)CC(=O)c2ccc(OC)c(OC)c2)n1.O=C(CC(=O)c1ccc(O)c(O)c1)Nc1cc(O)ccc1C(=O)O.O=C(CC(=O)c1ccc(O)c(O)c1)Nc1ccc(/C=C2\SC(=O)NC2=O)cc1.O=C(CC(=O)c1ccc(O)c(O)c1)Nc1ccc(O)c(F)c1.O=C(CC(=O)c1ccc(O)c(O)c1)Nc1ccc(O)c(O)c1.O=C(CC(=O)c1ccc(O)c(O)c1)Nc1ccc(O)cn1.O=c1ccn2c(=O)cc(-c3ccc(O)cc3)[nH]c2c1
• InChI: InChI=1S/C19H14N2O6S.C17H18N2O5.C16H13NO7.C15H12FNO5.2C15H14N2O5.C15H13NO6.C14H12N2O5.C14H10N2O3/c22-13-6-3-11(8-15(13)24)14(23)9-17(25)20-12-4-1-10(2-5-12)7-16-18(26)21-19(27)28-16;1-22-13-8-7-11(9-14(13)23-2)12(20)10-16(21)18-15-5-4-6-17(19-15)24-3;18-9-2-3-10(16(23)24)11(6-9)17-15(22)7-13(20)8-1-4-12(19)14(21)5-8;16-10-6-9(2-4-11(10)18)17-15(22)7-13(20)8-1-3-12(19)14(21)5-8;1-22-10-3-5-14(16-8-10)17-15(21)7-12(19)9-2-4-11(18)13(20)6-9;1-22-15-7-10(4-5-16-15)17-14(21)8-12(19)9-2-3-11(18)13(20)6-9;17-10-3-1-8(5-13(10)20)12(19)7-15(22)16-9-2-4-11(18)14(21)6-9;17-9-2-4-13(15-7-9)16-14(21)6-11(19)8-1-3-10(18)12(20)5-8;17-10-3-1-9(2-4-10)12-8-14(19)16-6-5-11(18)7-13(16)15-12/h1-8,22,24H,9H2,(H,20,25)(H,21,26,27);4-9H,10H2,1-3H3,(H,18,19,21);1-6,18-19,21H,7H2,(H,17,22)(H,23,24);1-6,18-19,21H,7H2,(H,17,22);2-6,8,18,20H,7H2,1H3,(H,16,17,21);2-7,18,20H,8H2,1H3,(H,16,17,21);1-6,17-18,20-21H,7H2,(H,16,22);1-5,7,17-18,20H,6H2,(H,15,16,21);1-8,15,17H/b16-7-
• InChIKey: KPWURIFAVJOLOI-PJAZIENBSA-N
• XLogP: 16.74
• TPSA: 1009.48 Ų
• H-Bond Donors: 31
• H-Bond Acceptors: 52
• Rotatable Bonds: 40
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2815.62
LogP ≤ 5	16.74
H-Bond Donors ≤ 5	31
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,3-bis(3,4-dihydroxyphenyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(3-fluoro-4-hydroxyphenyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(5-hydroxy-2-pyridinyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(2-methoxy-4-pyridinyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(5-methoxy-2-pyridinyl)-3-oxopropanamide;2-[[3-(3,4-dihydroxyphenyl)-3-oxopropanoyl]amino]-4-hydroxybenzoic acid;3-(3,4-dimethoxyphenyl)-N-(6-methoxy-2-pyridinyl)-3-oxopropanamide;2-(4-hydroxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,8-dione?

The IUPAC name of N,3-bis(3,4-dihydroxyphenyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(3-fluoro-4-hydroxyphenyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(5-hydroxy-2-pyridinyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(2-methoxy-4-pyridinyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(5-methoxy-2-pyridinyl)-3-oxopropanamide;2-[[3-(3,4-dihydroxyphenyl)-3-oxopropanoyl]amino]-4-hydroxybenzoic acid;3-(3,4-dimethoxyphenyl)-N-(6-methoxy-2-pyridinyl)-3-oxopropanamide;2-(4-hydroxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,8-dione (CID 163966783) is N,3-bis(3,4-dihydroxyphenyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(3-fluoro-4-hydroxyphenyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(5-hydroxy-2-pyridinyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(2-methoxy-4-pyridinyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(5-methoxy-2-pyridinyl)-3-oxopropanamide;2-[[3-(3,4-dihydroxyphenyl)-3-oxopropanoyl]amino]-4-hydroxybenzoic acid;3-(3,4-dimethoxyphenyl)-N-(6-methoxy-2-pyridinyl)-3-oxopropanamide;2-(4-hydroxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,8-dione.

What is the SMILES notation for N,3-bis(3,4-dihydroxyphenyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(3-fluoro-4-hydroxyphenyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(5-hydroxy-2-pyridinyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(2-methoxy-4-pyridinyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(5-methoxy-2-pyridinyl)-3-oxopropanamide;2-[[3-(3,4-dihydroxyphenyl)-3-oxopropanoyl]amino]-4-hydroxybenzoic acid;3-(3,4-dimethoxyphenyl)-N-(6-methoxy-2-pyridinyl)-3-oxopropanamide;2-(4-hydroxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,8-dione?

The canonical SMILES for N,3-bis(3,4-dihydroxyphenyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(3-fluoro-4-hydroxyphenyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(5-hydroxy-2-pyridinyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(2-methoxy-4-pyridinyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(5-methoxy-2-pyridinyl)-3-oxopropanamide;2-[[3-(3,4-dihydroxyphenyl)-3-oxopropanoyl]amino]-4-hydroxybenzoic acid;3-(3,4-dimethoxyphenyl)-N-(6-methoxy-2-pyridinyl)-3-oxopropanamide;2-(4-hydroxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,8-dione is COc1cc(NC(=O)CC(=O)c2ccc(O)c(O)c2)ccn1.COc1ccc(NC(=O)CC(=O)c2ccc(O)c(O)c2)nc1.COc1cccc(NC(=O)CC(=O)c2ccc(OC)c(OC)c2)n1.O=C(CC(=O)c1ccc(O)c(O)c1)Nc1cc(O)ccc1C(=O)O.O=C(CC(=O)c1ccc(O)c(O)c1)Nc1ccc(/C=C2\SC(=O)NC2=O)cc1.O=C(CC(=O)c1ccc(O)c(O)c1)Nc1ccc(O)c(F)c1.O=C(CC(=O)c1ccc(O)c(O)c1)Nc1ccc(O)c(O)c1.O=C(CC(=O)c1ccc(O)c(O)c1)Nc1ccc(O)cn1.O=c1ccn2c(=O)cc(-c3ccc(O)cc3)[nH]c2c1.

What is the InChIKey of N,3-bis(3,4-dihydroxyphenyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(3-fluoro-4-hydroxyphenyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(5-hydroxy-2-pyridinyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(2-methoxy-4-pyridinyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(5-methoxy-2-pyridinyl)-3-oxopropanamide;2-[[3-(3,4-dihydroxyphenyl)-3-oxopropanoyl]amino]-4-hydroxybenzoic acid;3-(3,4-dimethoxyphenyl)-N-(6-methoxy-2-pyridinyl)-3-oxopropanamide;2-(4-hydroxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,8-dione?

The InChIKey is KPWURIFAVJOLOI-PJAZIENBSA-N. The full InChI is InChI=1S/C19H14N2O6S.C17H18N2O5.C16H13NO7.C15H12FNO5.2C15H14N2O5.C15H13NO6.C14H12N2O5.C14H10N2O3/c22-13-6-3-11(8-15(13)24)14(23)9-17(25)20-12-4-1-10(2-5-12)7-16-18(26)21-19(27)28-16;1-22-13-8-7-11(9-14(13)23-2)12(20)10-16(21)18-15-5-4-6-17(19-15)24-3;18-9-2-3-10(16(23)24)11(6-9)17-15(22)7-13(20)8-1-4-12(19)14(21)5-8;16-10-6-9(2-4-11(10)18)17-15(22)7-13(20)8-1-3-12(19)14(21)5-8;1-22-10-3-5-14(16-8-10)17-15(21)7-12(19)9-2-4-11(18)13(20)6-9;1-22-15-7-10(4-5-16-15)17-14(21)8-12(19)9-2-3-11(18)13(20)6-9;17-10-3-1-8(5-13(10)20)12(19)7-15(22)16-9-2-4-11(18)14(21)6-9;17-9-2-4-13(15-7-9)16-14(21)6-11(19)8-1-3-10(18)12(20)5-8;17-10-3-1-9(2-4-10)12-8-14(19)16-6-5-11(18)7-13(16)15-12/h1-8,22,24H,9H2,(H,20,25)(H,21,26,27);4-9H,10H2,1-3H3,(H,18,19,21);1-6,18-19,21H,7H2,(H,17,22)(H,23,24);1-6,18-19,21H,7H2,(H,17,22);2-6,8,18,20H,7H2,1H3,(H,16,17,21);2-7,18,20H,8H2,1H3,(H,16,17,21);1-6,17-18,20-21H,7H2,(H,16,22);1-5,7,17-18,20H,6H2,(H,15,16,21);1-8,15,17H/b16-7-;;;;;;;;.

What are the key properties of N,3-bis(3,4-dihydroxyphenyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(3-fluoro-4-hydroxyphenyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(5-hydroxy-2-pyridinyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(2-methoxy-4-pyridinyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(5-methoxy-2-pyridinyl)-3-oxopropanamide;2-[[3-(3,4-dihydroxyphenyl)-3-oxopropanoyl]amino]-4-hydroxybenzoic acid;3-(3,4-dimethoxyphenyl)-N-(6-methoxy-2-pyridinyl)-3-oxopropanamide;2-(4-hydroxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,8-dione?

N,3-bis(3,4-dihydroxyphenyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(3-fluoro-4-hydroxyphenyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(5-hydroxy-2-pyridinyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(2-methoxy-4-pyridinyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(5-methoxy-2-pyridinyl)-3-oxopropanamide;2-[[3-(3,4-dihydroxyphenyl)-3-oxopropanoyl]amino]-4-hydroxybenzoic acid;3-(3,4-dimethoxyphenyl)-N-(6-methoxy-2-pyridinyl)-3-oxopropanamide;2-(4-hydroxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,8-dione has a molecular weight of 2815.62 g/mol, XLogP of 16.74, 40 rotatable bonds, 31 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for N,3-bis(3,4-dihydroxyphenyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(3-fluoro-4-hydroxyphenyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(5-hydroxy-2-pyridinyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(2-methoxy-4-pyridinyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(5-methoxy-2-pyridinyl)-3-oxopropanamide;2-[[3-(3,4-dihydroxyphenyl)-3-oxopropanoyl]amino]-4-hydroxybenzoic acid;3-(3,4-dimethoxyphenyl)-N-(6-methoxy-2-pyridinyl)-3-oxopropanamide;2-(4-hydroxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,8-dione is sourced from PubChem (CID 163966783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).