5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;4-chloro-2-methyl-1,8-naphthyridine;dimethyl 2-(2-aminopyridine-3-carbonyl)propanedioate;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-1H-1,8-naphthyridin-2-one;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methane;methyl 2-acetamidopyridine-3-carboxylate;methyl 3-(2-amino-3-pyridinyl)-3-oxopropanoate;2-methyl-1H-1,8-naphthyridin-4-one;6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide

C134H134Cl2F5N25O24 — CID 158840636

About 5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;4-chloro-2-methyl-1,8-naphthyridine;dimethyl 2-(2-aminopyridine-3-carbonyl)propanedioate;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-1H-1,8-naphthyridin-2-one;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methane;methyl 2-acetamidopyridine-3-carboxylate;methyl 3-(2-amino-3-pyridinyl)-3-oxopropanoate;2-methyl-1H-1,8-naphthyridin-4-one;6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide

5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;4-chloro-2-methyl-1,8-naphthyridine;dimethyl 2-(2-aminopyridine-3-carbonyl)propanedioate;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-1H-1,8-naphthyridin-2-one;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methane;methyl 2-acetamidopyridine-3-carboxylate;methyl 3-(2-amino-3-pyridinyl)-3-oxopropanoate;2-methyl-1H-1,8-naphthyridin-4-one;6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide (PubChem CID 158840636) has the molecular formula C134H134Cl2F5N25O24 and a molecular weight of 2644.59 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;4-chloro-2-methyl-1,8-naphthyridine;dimethyl 2-(2-aminopyridine-3-carbonyl)propanedioate;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-1H-1,8-naphthyridin-2-one;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methane;methyl 2-acetamidopyridine-3-carboxylate;methyl 3-(2-amino-3-pyridinyl)-3-oxopropanoate;2-methyl-1H-1,8-naphthyridin-4-one;6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;4-chloro-2-methyl-1,8-naphthyridine;dimethyl 2-(2-aminopyridine-3-carbonyl)propanedioate;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-1H-1,8-naphthyridin-2-one;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methane;methyl 2-acetamidopyridine-3-carboxylate;methyl 3-(2-amino-3-pyridinyl)-3-oxopropanoate;2-methyl-1H-1,8-naphthyridin-4-one;6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide
• PubChem CID: 158840636
• Molecular Formula: C134H134Cl2F5N25O24
• Molecular Weight: 2644.59 g/mol
• Exact Mass: 2641.93
• IUPAC Name: 5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;4-chloro-2-methyl-1,8-naphthyridine;dimethyl 2-(2-aminopyridine-3-carbonyl)propanedioate;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-1H-1,8-naphthyridin-2-one;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methane;methyl 2-acetamidopyridine-3-carboxylate;methyl 3-(2-amino-3-pyridinyl)-3-oxopropanoate;2-methyl-1H-1,8-naphthyridin-4-one;6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide
• SMILES: C.C.C=C(C)c1cccnc1NC(=O)c1cc(C(F)(F)F)ccc1F.C=C(C)c1cccnc1NC(=O)c1cc(Cl)ccc1F.C=C(C)c1cccnc1NC(=O)c1cccc(C)n1.C=C(CC(=O)Nc1ccccn1)OCC.C=C(O)CC(=O)Nc1ccccn1.CCC(=O)c1c(O)c2cccnc2[nH]c1=O.COC(=O)C(C(=O)OC)C(=O)c1cccnc1N.COC(=O)CC(=O)c1cccnc1N.COC(=O)c1cccnc1NC(C)=O.Cc1cc(=O)c2cccnc2[nH]1.Cc1cc(Cl)c2cccnc2n1.O=c1cc(O)c2cccnc2[nH]1
• InChI: InChI=1S/C16H12F4N2O.C15H12ClFN2O.C15H15N3O.C11H12N2O5.C11H10N2O3.C11H14N2O2.C9H7ClN2.2C9H10N2O3.C9H10N2O2.C9H8N2O.C8H6N2O2.2CH4/c1-9(2)11-4-3-7-21-14(11)22-15(23)12-8-10(16(18,19)20)5-6-13(12)17;1-9(2)11-4-3-7-18-14(11)19-15(20)12-8-10(16)5-6-13(12)17;1-10(2)12-7-5-9-16-14(12)18-15(19)13-8-4-6-11(3)17-13;1-17-10(15)7(11(16)18-2)8(14)6-4-3-5-13-9(6)12;1-2-7(14)8-9(15)6-4-3-5-12-10(6)13-11(8)16;1-3-15-9(2)8-11(14)13-10-6-4-5-7-12-10;1-6-5-8(10)7-3-2-4-11-9(7)12-6;1-6(12)11-8-7(9(13)14-2)4-3-5-10-8;1-14-8(13)5-7(12)6-3-2-4-11-9(6)10;1-7(12)6-9(13)11-8-4-2-3-5-10-8;1-6-5-8(12)7-3-2-4-10-9(7)11-6;11-6-4-7(12)10-8-5(6)2-1-3-9-8;;/h3-8H,1H2,2H3,(H,21,22,23);3-8H,1H2,2H3,(H,18,19,20);4-9H,1H2,2-3H3,(H,16,18,19);3-5,7H,1-2H3,(H2,12,13);3-5H,2H2,1H3,(H2,12,13,15,16);4-7H,2-3,8H2,1H3,(H,12,13,14);2-5H,1H3;3-5H,1-2H3,(H,10,11,12);2-4H,5H2,1H3,(H2,10,11);2-5,12H,1,6H2,(H,10,11,13);2-5H,1H3,(H,10,11,12);1-4H,(H2,9,10,11,12);2*1H4
• InChIKey: IYEQKEVDFLIOAN-UHFFFAOYSA-N
• XLogP: 23.19
• TPSA: 732.01 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 40
• Rotatable Bonds: 28
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2644.59
LogP ≤ 5	23.19
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;4-chloro-2-methyl-1,8-naphthyridine;dimethyl 2-(2-aminopyridine-3-carbonyl)propanedioate;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-1H-1,8-naphthyridin-2-one;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methane;methyl 2-acetamidopyridine-3-carboxylate;methyl 3-(2-amino-3-pyridinyl)-3-oxopropanoate;2-methyl-1H-1,8-naphthyridin-4-one;6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide?

The IUPAC name of 5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;4-chloro-2-methyl-1,8-naphthyridine;dimethyl 2-(2-aminopyridine-3-carbonyl)propanedioate;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-1H-1,8-naphthyridin-2-one;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methane;methyl 2-acetamidopyridine-3-carboxylate;methyl 3-(2-amino-3-pyridinyl)-3-oxopropanoate;2-methyl-1H-1,8-naphthyridin-4-one;6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide (CID 158840636) is 5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;4-chloro-2-methyl-1,8-naphthyridine;dimethyl 2-(2-aminopyridine-3-carbonyl)propanedioate;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-1H-1,8-naphthyridin-2-one;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methane;methyl 2-acetamidopyridine-3-carboxylate;methyl 3-(2-amino-3-pyridinyl)-3-oxopropanoate;2-methyl-1H-1,8-naphthyridin-4-one;6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide.

What is the SMILES notation for 5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;4-chloro-2-methyl-1,8-naphthyridine;dimethyl 2-(2-aminopyridine-3-carbonyl)propanedioate;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-1H-1,8-naphthyridin-2-one;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methane;methyl 2-acetamidopyridine-3-carboxylate;methyl 3-(2-amino-3-pyridinyl)-3-oxopropanoate;2-methyl-1H-1,8-naphthyridin-4-one;6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide?

The canonical SMILES for 5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;4-chloro-2-methyl-1,8-naphthyridine;dimethyl 2-(2-aminopyridine-3-carbonyl)propanedioate;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-1H-1,8-naphthyridin-2-one;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methane;methyl 2-acetamidopyridine-3-carboxylate;methyl 3-(2-amino-3-pyridinyl)-3-oxopropanoate;2-methyl-1H-1,8-naphthyridin-4-one;6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide is C.C.C=C(C)c1cccnc1NC(=O)c1cc(C(F)(F)F)ccc1F.C=C(C)c1cccnc1NC(=O)c1cc(Cl)ccc1F.C=C(C)c1cccnc1NC(=O)c1cccc(C)n1.C=C(CC(=O)Nc1ccccn1)OCC.C=C(O)CC(=O)Nc1ccccn1.CCC(=O)c1c(O)c2cccnc2[nH]c1=O.COC(=O)C(C(=O)OC)C(=O)c1cccnc1N.COC(=O)CC(=O)c1cccnc1N.COC(=O)c1cccnc1NC(C)=O.Cc1cc(=O)c2cccnc2[nH]1.Cc1cc(Cl)c2cccnc2n1.O=c1cc(O)c2cccnc2[nH]1.

What is the InChIKey of 5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;4-chloro-2-methyl-1,8-naphthyridine;dimethyl 2-(2-aminopyridine-3-carbonyl)propanedioate;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-1H-1,8-naphthyridin-2-one;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methane;methyl 2-acetamidopyridine-3-carboxylate;methyl 3-(2-amino-3-pyridinyl)-3-oxopropanoate;2-methyl-1H-1,8-naphthyridin-4-one;6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide?

The InChIKey is IYEQKEVDFLIOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N2O.C15H12ClFN2O.C15H15N3O.C11H12N2O5.C11H10N2O3.C11H14N2O2.C9H7ClN2.2C9H10N2O3.C9H10N2O2.C9H8N2O.C8H6N2O2.2CH4/c1-9(2)11-4-3-7-21-14(11)22-15(23)12-8-10(16(18,19)20)5-6-13(12)17;1-9(2)11-4-3-7-18-14(11)19-15(20)12-8-10(16)5-6-13(12)17;1-10(2)12-7-5-9-16-14(12)18-15(19)13-8-4-6-11(3)17-13;1-17-10(15)7(11(16)18-2)8(14)6-4-3-5-13-9(6)12;1-2-7(14)8-9(15)6-4-3-5-12-10(6)13-11(8)16;1-3-15-9(2)8-11(14)13-10-6-4-5-7-12-10;1-6-5-8(10)7-3-2-4-11-9(7)12-6;1-6(12)11-8-7(9(13)14-2)4-3-5-10-8;1-14-8(13)5-7(12)6-3-2-4-11-9(6)10;1-7(12)6-9(13)11-8-4-2-3-5-10-8;1-6-5-8(12)7-3-2-4-10-9(7)11-6;11-6-4-7(12)10-8-5(6)2-1-3-9-8;;/h3-8H,1H2,2H3,(H,21,22,23);3-8H,1H2,2H3,(H,18,19,20);4-9H,1H2,2-3H3,(H,16,18,19);3-5,7H,1-2H3,(H2,12,13);3-5H,2H2,1H3,(H2,12,13,15,16);4-7H,2-3,8H2,1H3,(H,12,13,14);2-5H,1H3;3-5H,1-2H3,(H,10,11,12);2-4H,5H2,1H3,(H2,10,11);2-5,12H,1,6H2,(H,10,11,13);2-5H,1H3,(H,10,11,12);1-4H,(H2,9,10,11,12);2*1H4.

What are the key properties of 5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;4-chloro-2-methyl-1,8-naphthyridine;dimethyl 2-(2-aminopyridine-3-carbonyl)propanedioate;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-1H-1,8-naphthyridin-2-one;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methane;methyl 2-acetamidopyridine-3-carboxylate;methyl 3-(2-amino-3-pyridinyl)-3-oxopropanoate;2-methyl-1H-1,8-naphthyridin-4-one;6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide?

5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;4-chloro-2-methyl-1,8-naphthyridine;dimethyl 2-(2-aminopyridine-3-carbonyl)propanedioate;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-1H-1,8-naphthyridin-2-one;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methane;methyl 2-acetamidopyridine-3-carboxylate;methyl 3-(2-amino-3-pyridinyl)-3-oxopropanoate;2-methyl-1H-1,8-naphthyridin-4-one;6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide has a molecular weight of 2644.59 g/mol, XLogP of 23.19, 28 rotatable bonds, 14 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;4-chloro-2-methyl-1,8-naphthyridine;dimethyl 2-(2-aminopyridine-3-carbonyl)propanedioate;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-1H-1,8-naphthyridin-2-one;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methane;methyl 2-acetamidopyridine-3-carboxylate;methyl 3-(2-amino-3-pyridinyl)-3-oxopropanoate;2-methyl-1H-1,8-naphthyridin-4-one;6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 158840636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).