1-(2-acetyl-5-methyl-4-pyridinyl)-3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one;(2R,4R)-4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-methoxy-N,5-dimethyl-1,2,3,4-tetrahydropyridine-2-carboxamide;4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylic acid;(2R,4R)-4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-1,2,3,4-tetrahydropyridine-2-carboxylic acid

C79H71Cl4F8N13O15 — CID 167536264

About 1-(2-acetyl-5-methyl-4-pyridinyl)-3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one;(2R,4R)-4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-methoxy-N,5-dimethyl-1,2,3,4-tetrahydropyridine-2-carboxamide;4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylic acid;(2R,4R)-4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-1,2,3,4-tetrahydropyridine-2-carboxylic acid

1-(2-acetyl-5-methyl-4-pyridinyl)-3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one;(2R,4R)-4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-methoxy-N,5-dimethyl-1,2,3,4-tetrahydropyridine-2-carboxamide;4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylic acid;(2R,4R)-4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-1,2,3,4-tetrahydropyridine-2-carboxylic acid (PubChem CID 167536264) has the molecular formula C79H71Cl4F8N13O15 and a molecular weight of 1736.31 g/mol. Its IUPAC name is 1-(2-acetyl-5-methyl-4-pyridinyl)-3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one;(2R,4R)-4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-methoxy-N,5-dimethyl-1,2,3,4-tetrahydropyridine-2-carboxamide;4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylic acid;(2R,4R)-4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-1,2,3,4-tetrahydropyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 1-(2-acetyl-5-methyl-4-pyridinyl)-3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one;(2R,4R)-4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-methoxy-N,5-dimethyl-1,2,3,4-tetrahydropyridine-2-carboxamide;4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylic acid;(2R,4R)-4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-1,2,3,4-tetrahydropyridine-2-carboxylic acid
• PubChem CID: 167536264
• Molecular Formula: C79H71Cl4F8N13O15
• Molecular Weight: 1736.31 g/mol
• Exact Mass: 1733.38
• IUPAC Name: 1-(2-acetyl-5-methyl-4-pyridinyl)-3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one;(2R,4R)-4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-methoxy-N,5-dimethyl-1,2,3,4-tetrahydropyridine-2-carboxamide;4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylic acid;(2R,4R)-4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-1,2,3,4-tetrahydropyridine-2-carboxylic acid
• SMILES: CC(=O)c1cc(-n2c(C)cc(OCc3ncc(F)cc3F)c(Cl)c2=O)c(C)cn1.CC1=CN[C@@H](C(=O)O)C[C@H]1n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O.CON(C)C(=O)[C@H]1C[C@@H](n2c(C)cc(OCc3ncc(F)cc3F)c(Cl)c2=O)C(C)=CN1.Cc1cnc(C(=O)O)cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O
• InChI: InChI=1S/C21H23ClF2N4O4.C20H16ClF2N3O3.C19H18ClF2N3O4.C19H14ClF2N3O4/c1-11-8-25-15(20(29)27(3)31-4)7-17(11)28-12(2)5-18(19(22)21(28)30)32-10-16-14(24)6-13(23)9-26-16;1-10-7-24-15(12(3)27)6-17(10)26-11(2)4-18(19(21)20(26)28)29-9-16-14(23)5-13(22)8-25-16;2*1-9-6-23-13(19(27)28)5-15(9)25-10(2)3-16(17(20)18(25)26)29-8-14-12(22)4-11(21)7-24-14/h5-6,8-9,15,17,25H,7,10H2,1-4H3;4-8H,9H2,1-3H3;3-4,6-7,13,15,23H,5,8H2,1-2H3,(H,27,28);3-7H,8H2,1-2H3,(H,27,28)/t15-,17-;;13-,15-;/m1.1./s1
• InChIKey: APIBBSOHLJAKPX-YSZOXLPISA-N
• XLogP: 13.25
• TPSA: 347.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1736.31
LogP ≤ 5	13.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyl-5-methyl-4-pyridinyl)-3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one;(2R,4R)-4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-methoxy-N,5-dimethyl-1,2,3,4-tetrahydropyridine-2-carboxamide;4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylic acid;(2R,4R)-4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-1,2,3,4-tetrahydropyridine-2-carboxylic acid?

The IUPAC name of 1-(2-acetyl-5-methyl-4-pyridinyl)-3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one;(2R,4R)-4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-methoxy-N,5-dimethyl-1,2,3,4-tetrahydropyridine-2-carboxamide;4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylic acid;(2R,4R)-4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-1,2,3,4-tetrahydropyridine-2-carboxylic acid (CID 167536264) is 1-(2-acetyl-5-methyl-4-pyridinyl)-3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one;(2R,4R)-4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-methoxy-N,5-dimethyl-1,2,3,4-tetrahydropyridine-2-carboxamide;4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylic acid;(2R,4R)-4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-1,2,3,4-tetrahydropyridine-2-carboxylic acid.

What is the SMILES notation for 1-(2-acetyl-5-methyl-4-pyridinyl)-3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one;(2R,4R)-4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-methoxy-N,5-dimethyl-1,2,3,4-tetrahydropyridine-2-carboxamide;4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylic acid;(2R,4R)-4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-1,2,3,4-tetrahydropyridine-2-carboxylic acid?

The canonical SMILES for 1-(2-acetyl-5-methyl-4-pyridinyl)-3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one;(2R,4R)-4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-methoxy-N,5-dimethyl-1,2,3,4-tetrahydropyridine-2-carboxamide;4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylic acid;(2R,4R)-4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-1,2,3,4-tetrahydropyridine-2-carboxylic acid is CC(=O)c1cc(-n2c(C)cc(OCc3ncc(F)cc3F)c(Cl)c2=O)c(C)cn1.CC1=CN[C@@H](C(=O)O)C[C@H]1n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O.CON(C)C(=O)[C@H]1C[C@@H](n2c(C)cc(OCc3ncc(F)cc3F)c(Cl)c2=O)C(C)=CN1.Cc1cnc(C(=O)O)cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O.

What is the InChIKey of 1-(2-acetyl-5-methyl-4-pyridinyl)-3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one;(2R,4R)-4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-methoxy-N,5-dimethyl-1,2,3,4-tetrahydropyridine-2-carboxamide;4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylic acid;(2R,4R)-4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-1,2,3,4-tetrahydropyridine-2-carboxylic acid?

The InChIKey is APIBBSOHLJAKPX-YSZOXLPISA-N. The full InChI is InChI=1S/C21H23ClF2N4O4.C20H16ClF2N3O3.C19H18ClF2N3O4.C19H14ClF2N3O4/c1-11-8-25-15(20(29)27(3)31-4)7-17(11)28-12(2)5-18(19(22)21(28)30)32-10-16-14(24)6-13(23)9-26-16;1-10-7-24-15(12(3)27)6-17(10)26-11(2)4-18(19(21)20(26)28)29-9-16-14(23)5-13(22)8-25-16;2*1-9-6-23-13(19(27)28)5-15(9)25-10(2)3-16(17(20)18(25)26)29-8-14-12(22)4-11(21)7-24-14/h5-6,8-9,15,17,25H,7,10H2,1-4H3;4-8H,9H2,1-3H3;3-4,6-7,13,15,23H,5,8H2,1-2H3,(H,27,28);3-7H,8H2,1-2H3,(H,27,28)/t15-,17-;;13-,15-;/m1.1./s1.

What are the key properties of 1-(2-acetyl-5-methyl-4-pyridinyl)-3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one;(2R,4R)-4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-methoxy-N,5-dimethyl-1,2,3,4-tetrahydropyridine-2-carboxamide;4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylic acid;(2R,4R)-4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-1,2,3,4-tetrahydropyridine-2-carboxylic acid?

1-(2-acetyl-5-methyl-4-pyridinyl)-3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one;(2R,4R)-4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-methoxy-N,5-dimethyl-1,2,3,4-tetrahydropyridine-2-carboxamide;4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylic acid;(2R,4R)-4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-1,2,3,4-tetrahydropyridine-2-carboxylic acid has a molecular weight of 1736.31 g/mol, XLogP of 13.25, 21 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-acetyl-5-methyl-4-pyridinyl)-3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one;(2R,4R)-4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-methoxy-N,5-dimethyl-1,2,3,4-tetrahydropyridine-2-carboxamide;4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylic acid;(2R,4R)-4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-1,2,3,4-tetrahydropyridine-2-carboxylic acid is sourced from PubChem (CID 167536264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).