5-[(3-chlorophenyl)methyl]-3-fluoropyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-3-fluoro-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid

C36H34Cl2F2N8O5 — CID 167644039

About 5-[(3-chlorophenyl)methyl]-3-fluoropyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-3-fluoro-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid

5-[(3-chlorophenyl)methyl]-3-fluoropyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-3-fluoro-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (PubChem CID 167644039) has the molecular formula C36H34Cl2F2N8O5 and a molecular weight of 767.62 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-3-fluoropyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-3-fluoro-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[(3-chlorophenyl)methyl]-3-fluoropyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-3-fluoro-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
• PubChem CID: 167644039
• Molecular Formula: C36H34Cl2F2N8O5
• Molecular Weight: 767.62 g/mol
• Exact Mass: 766.20
• IUPAC Name: 5-[(3-chlorophenyl)methyl]-3-fluoropyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-3-fluoro-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
• SMILES: CN1N=C(C(=O)Nc2ncc(Cc3cccc(Cl)c3)cc2F)CCC1=O.CN1N=C(C(=O)O)CCC1=O.Nc1ncc(Cc2cccc(Cl)c2)cc1F
• InChI: InChI=1S/C18H16ClFN4O2.C12H10ClFN2.C6H8N2O3/c1-24-16(25)6-5-15(23-24)18(26)22-17-14(20)9-12(10-21-17)7-11-3-2-4-13(19)8-11;13-10-3-1-2-8(5-10)4-9-6-11(14)12(15)16-7-9;1-8-5(9)3-2-4(7-8)6(10)11/h2-4,8-10H,5-7H2,1H3,(H,21,22,26);1-3,5-7H,4H2,(H2,15,16);2-3H2,1H3,(H,10,11)
• InChIKey: POUFQAGVKAAZCF-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 183.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	767.62
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]-3-fluoropyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-3-fluoro-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?

The IUPAC name of 5-[(3-chlorophenyl)methyl]-3-fluoropyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-3-fluoro-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (CID 167644039) is 5-[(3-chlorophenyl)methyl]-3-fluoropyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-3-fluoro-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid.

What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-3-fluoropyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-3-fluoro-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?

The canonical SMILES for 5-[(3-chlorophenyl)methyl]-3-fluoropyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-3-fluoro-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid is CN1N=C(C(=O)Nc2ncc(Cc3cccc(Cl)c3)cc2F)CCC1=O.CN1N=C(C(=O)O)CCC1=O.Nc1ncc(Cc2cccc(Cl)c2)cc1F.

What is the InChIKey of 5-[(3-chlorophenyl)methyl]-3-fluoropyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-3-fluoro-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?

The InChIKey is POUFQAGVKAAZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O2.C12H10ClFN2.C6H8N2O3/c1-24-16(25)6-5-15(23-24)18(26)22-17-14(20)9-12(10-21-17)7-11-3-2-4-13(19)8-11;13-10-3-1-2-8(5-10)4-9-6-11(14)12(15)16-7-9;1-8-5(9)3-2-4(7-8)6(10)11/h2-4,8-10H,5-7H2,1H3,(H,21,22,26);1-3,5-7H,4H2,(H2,15,16);2-3H2,1H3,(H,10,11).

What are the key properties of 5-[(3-chlorophenyl)methyl]-3-fluoropyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-3-fluoro-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?

5-[(3-chlorophenyl)methyl]-3-fluoropyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-3-fluoro-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid has a molecular weight of 767.62 g/mol, XLogP of 5.74, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-chlorophenyl)methyl]-3-fluoropyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-3-fluoro-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid is sourced from PubChem (CID 167644039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).