2,2-difluorocyclobutan-1-amine;6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]pyridin-2-amine;N-[6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxypyridine-3-carboxylic acid

C52H59F6N19O6 — CID 172960001

About 2,2-difluorocyclobutan-1-amine;6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]pyridin-2-amine;N-[6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxypyridine-3-carboxylic acid

2,2-difluorocyclobutan-1-amine;6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]pyridin-2-amine;N-[6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxypyridine-3-carboxylic acid (PubChem CID 172960001) has the molecular formula C52H59F6N19O6 and a molecular weight of 1160.16 g/mol. Its IUPAC name is 2,2-difluorocyclobutan-1-amine;6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]pyridin-2-amine;N-[6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxypyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 2,2-difluorocyclobutan-1-amine;6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]pyridin-2-amine;N-[6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxypyridine-3-carboxylic acid
• PubChem CID: 172960001
• Molecular Formula: C52H59F6N19O6
• Molecular Weight: 1160.16 g/mol
• Exact Mass: 1159.48
• IUPAC Name: 2,2-difluorocyclobutan-1-amine;6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]pyridin-2-amine;N-[6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxypyridine-3-carboxylic acid
• SMILES: CN(C)C=Nc1cccc(C(=O)N/N=C/N(C)C)n1.COc1ncccc1C(=O)Nc1cccc(-c2nncn2C2CCC2(F)F)n1.COc1ncccc1C(=O)O.NC1CCC1(F)F.Nc1cccc(-c2nncn2C2CCC2(F)F)n1
• InChI: InChI=1S/C18H16F2N6O2.C12H18N6O.C11H11F2N5.C7H7NO3.C4H7F2N/c1-28-17-11(4-3-9-21-17)16(27)24-14-6-2-5-12(23-14)15-25-22-10-26(15)13-7-8-18(13,19)20;1-17(2)8-13-11-7-5-6-10(15-11)12(19)16-14-9-18(3)4;12-11(13)5-4-8(11)18-6-15-17-10(18)7-2-1-3-9(14)16-7;1-11-6-5(7(9)10)3-2-4-8-6;5-4(6)2-1-3(4)7/h2-6,9-10,13H,7-8H2,1H3,(H,23,24,27);5-9H,1-4H3,(H,16,19);1-3,6,8H,4-5H2,(H2,14,16);2-4H,1H3,(H,9,10);3H,1-2,7H2/b;13-8?,14-9+
• InChIKey: XCEWZRVAEJIIQU-NBZNMJRUSA-N
• XLogP: 6.93
• TPSA: 323.07 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1160.16
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2-difluorocyclobutan-1-amine;6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]pyridin-2-amine;N-[6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxypyridine-3-carboxylic acid?

The IUPAC name of 2,2-difluorocyclobutan-1-amine;6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]pyridin-2-amine;N-[6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxypyridine-3-carboxylic acid (CID 172960001) is 2,2-difluorocyclobutan-1-amine;6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]pyridin-2-amine;N-[6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxypyridine-3-carboxylic acid.

What is the SMILES notation for 2,2-difluorocyclobutan-1-amine;6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]pyridin-2-amine;N-[6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxypyridine-3-carboxylic acid?

The canonical SMILES for 2,2-difluorocyclobutan-1-amine;6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]pyridin-2-amine;N-[6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxypyridine-3-carboxylic acid is CN(C)C=Nc1cccc(C(=O)N/N=C/N(C)C)n1.COc1ncccc1C(=O)Nc1cccc(-c2nncn2C2CCC2(F)F)n1.COc1ncccc1C(=O)O.NC1CCC1(F)F.Nc1cccc(-c2nncn2C2CCC2(F)F)n1.

What is the InChIKey of 2,2-difluorocyclobutan-1-amine;6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]pyridin-2-amine;N-[6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxypyridine-3-carboxylic acid?

The InChIKey is XCEWZRVAEJIIQU-NBZNMJRUSA-N. The full InChI is InChI=1S/C18H16F2N6O2.C12H18N6O.C11H11F2N5.C7H7NO3.C4H7F2N/c1-28-17-11(4-3-9-21-17)16(27)24-14-6-2-5-12(23-14)15-25-22-10-26(15)13-7-8-18(13,19)20;1-17(2)8-13-11-7-5-6-10(15-11)12(19)16-14-9-18(3)4;12-11(13)5-4-8(11)18-6-15-17-10(18)7-2-1-3-9(14)16-7;1-11-6-5(7(9)10)3-2-4-8-6;5-4(6)2-1-3(4)7/h2-6,9-10,13H,7-8H2,1H3,(H,23,24,27);5-9H,1-4H3,(H,16,19);1-3,6,8H,4-5H2,(H2,14,16);2-4H,1H3,(H,9,10);3H,1-2,7H2/b;13-8?,14-9+;;;.

What are the key properties of 2,2-difluorocyclobutan-1-amine;6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]pyridin-2-amine;N-[6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxypyridine-3-carboxylic acid?

2,2-difluorocyclobutan-1-amine;6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]pyridin-2-amine;N-[6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxypyridine-3-carboxylic acid has a molecular weight of 1160.16 g/mol, XLogP of 6.93, 14 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluorocyclobutan-1-amine;6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]pyridin-2-amine;N-[6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxypyridine-3-carboxylic acid is sourced from PubChem (CID 172960001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).