N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;(2S)-1,1,1-trifluoropropan-2-amine;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine

C47H58F9N21O6 — CID 172975529

About N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;(2S)-1,1,1-trifluoropropan-2-amine;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine

N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;(2S)-1,1,1-trifluoropropan-2-amine;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine (PubChem CID 172975529) has the molecular formula C47H58F9N21O6 and a molecular weight of 1184.10 g/mol. Its IUPAC name is N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;(2S)-1,1,1-trifluoropropan-2-amine;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;(2S)-1,1,1-trifluoropropan-2-amine;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine
• PubChem CID: 172975529
• Molecular Formula: C47H58F9N21O6
• Molecular Weight: 1184.10 g/mol
• Exact Mass: 1183.47
• IUPAC Name: N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;(2S)-1,1,1-trifluoropropan-2-amine;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine
• SMILES: CN(C)C=Nc1cccc(C(=O)N/N=C/N(C)C)n1.COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1.COc1nn(C)cc1C(=O)O.C[C@H](N)C(F)(F)F.C[C@H](n1cnnc1-c1cccc(N)n1)C(F)(F)F
• InChI: InChI=1S/C16H16F3N7O2.C12H18N6O.C10H10F3N5.C6H8N2O3.C3H6F3N/c1-9(16(17,18)19)26-8-20-23-13(26)11-5-4-6-12(21-11)22-14(27)10-7-25(2)24-15(10)28-3;1-17(2)8-13-11-7-5-6-10(15-11)12(19)16-14-9-18(3)4;1-6(10(11,12)13)18-5-15-17-9(18)7-3-2-4-8(14)16-7;1-8-3-4(6(9)10)5(7-8)11-2;1-2(7)3(4,5)6/h4-9H,1-3H3,(H,21,22,27);5-9H,1-4H3,(H,16,19);2-6H,1H3,(H2,14,16);3H,1-2H3,(H,9,10);2H,7H2,1H3/b;13-8?,14-9+;;;/t9-;;6-;;2-/m0.0.0/s1
• InChIKey: IBWIJASTJHFRKW-BKSJNLSESA-N
• XLogP: 6.06
• TPSA: 332.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 14
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1184.10
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

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 N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;(2S)-1,1,1-trifluoropropan-2-amine;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine?

The IUPAC name of N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;(2S)-1,1,1-trifluoropropan-2-amine;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine (CID 172975529) is N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;(2S)-1,1,1-trifluoropropan-2-amine;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine.

What is the SMILES notation for N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;(2S)-1,1,1-trifluoropropan-2-amine;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine?

The canonical SMILES for N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;(2S)-1,1,1-trifluoropropan-2-amine;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine is CN(C)C=Nc1cccc(C(=O)N/N=C/N(C)C)n1.COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1.COc1nn(C)cc1C(=O)O.C[C@H](N)C(F)(F)F.C[C@H](n1cnnc1-c1cccc(N)n1)C(F)(F)F.

What is the InChIKey of N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;(2S)-1,1,1-trifluoropropan-2-amine;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine?

The InChIKey is IBWIJASTJHFRKW-BKSJNLSESA-N. The full InChI is InChI=1S/C16H16F3N7O2.C12H18N6O.C10H10F3N5.C6H8N2O3.C3H6F3N/c1-9(16(17,18)19)26-8-20-23-13(26)11-5-4-6-12(21-11)22-14(27)10-7-25(2)24-15(10)28-3;1-17(2)8-13-11-7-5-6-10(15-11)12(19)16-14-9-18(3)4;1-6(10(11,12)13)18-5-15-17-9(18)7-3-2-4-8(14)16-7;1-8-3-4(6(9)10)5(7-8)11-2;1-2(7)3(4,5)6/h4-9H,1-3H3,(H,21,22,27);5-9H,1-4H3,(H,16,19);2-6H,1H3,(H2,14,16);3H,1-2H3,(H,9,10);2H,7H2,1H3/b;13-8?,14-9+;;;/t9-;;6-;;2-/m0.0.0/s1.

What are the key properties of N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;(2S)-1,1,1-trifluoropropan-2-amine;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine?

N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;(2S)-1,1,1-trifluoropropan-2-amine;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine has a molecular weight of 1184.10 g/mol, XLogP of 6.06, 14 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;(2S)-1,1,1-trifluoropropan-2-amine;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 172975529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).