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

C53H79N21O6 — CID 172982449

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

N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methyl-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;(2S)-3-methylbutan-2-amine;6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine (PubChem CID 172982449) has the molecular formula C53H79N21O6 and a molecular weight of 1106.36 g/mol. Its IUPAC name is N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methyl-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;(2S)-3-methylbutan-2-amine;6-[4-[(2S)-3-methylbutan-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-methyl-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;(2S)-3-methylbutan-2-amine;6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine
• PubChem CID: 172982449
• Molecular Formula: C53H79N21O6
• Molecular Weight: 1106.36 g/mol
• Exact Mass: 1105.65
• IUPAC Name: N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methyl-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;(2S)-3-methylbutan-2-amine;6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine
• SMILES: CC(C)[C@H](C)N.CC(C)[C@H](C)n1cnnc1-c1cccc(N)n1.CN(C)C=Nc1cccc(C(=O)N/N=C/N(C)C)n1.COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(C)C)n1.COc1nn(C)cc1C(=O)O
• InChI: InChI=1S/C18H23N7O2.C12H18N6O.C12H17N5.C6H8N2O3.C5H13N/c1-11(2)12(3)25-10-19-22-16(25)14-7-6-8-15(20-14)21-17(26)13-9-24(4)23-18(13)27-5;1-17(2)8-13-11-7-5-6-10(15-11)12(19)16-14-9-18(3)4;1-8(2)9(3)17-7-14-16-12(17)10-5-4-6-11(13)15-10;1-8-3-4(6(9)10)5(7-8)11-2;1-4(2)5(3)6/h6-12H,1-5H3,(H,20,21,26);5-9H,1-4H3,(H,16,19);4-9H,1-3H3,(H2,13,15);3H,1-2H3,(H,9,10);4-5H,6H2,1-3H3/b;13-8?,14-9+;;;/t12-;;9-;;5-/m0.0.0/s1
• InChIKey: OZAUQRBVHJYKSI-AQXGESDQSA-N
• XLogP: 6.34
• TPSA: 332.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1106.36
LogP ≤ 5	6.34
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-methyl-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;(2S)-3-methylbutan-2-amine;6-[4-[(2S)-3-methylbutan-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-methyl-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;(2S)-3-methylbutan-2-amine;6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine (CID 172982449) is N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methyl-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;(2S)-3-methylbutan-2-amine;6-[4-[(2S)-3-methylbutan-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-methyl-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;(2S)-3-methylbutan-2-amine;6-[4-[(2S)-3-methylbutan-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-methyl-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;(2S)-3-methylbutan-2-amine;6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine is CC(C)[C@H](C)N.CC(C)[C@H](C)n1cnnc1-c1cccc(N)n1.CN(C)C=Nc1cccc(C(=O)N/N=C/N(C)C)n1.COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(C)C)n1.COc1nn(C)cc1C(=O)O.

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

The InChIKey is OZAUQRBVHJYKSI-AQXGESDQSA-N. The full InChI is InChI=1S/C18H23N7O2.C12H18N6O.C12H17N5.C6H8N2O3.C5H13N/c1-11(2)12(3)25-10-19-22-16(25)14-7-6-8-15(20-14)21-17(26)13-9-24(4)23-18(13)27-5;1-17(2)8-13-11-7-5-6-10(15-11)12(19)16-14-9-18(3)4;1-8(2)9(3)17-7-14-16-12(17)10-5-4-6-11(13)15-10;1-8-3-4(6(9)10)5(7-8)11-2;1-4(2)5(3)6/h6-12H,1-5H3,(H,20,21,26);5-9H,1-4H3,(H,16,19);4-9H,1-3H3,(H2,13,15);3H,1-2H3,(H,9,10);4-5H,6H2,1-3H3/b;13-8?,14-9+;;;/t12-;;9-;;5-/m0.0.0/s1.

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

N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methyl-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;(2S)-3-methylbutan-2-amine;6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine has a molecular weight of 1106.36 g/mol, XLogP of 6.34, 17 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-methyl-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;(2S)-3-methylbutan-2-amine;6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 172982449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).