6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbonitrile;N-[5-cyano-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;4,6-dichloropyridine-3-carbonitrile;methane;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline

C57H57Cl3N20O5 — CID 158589167

About 6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbonitrile;N-[5-cyano-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;4,6-dichloropyridine-3-carbonitrile;methane;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline

6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbonitrile;N-[5-cyano-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;4,6-dichloropyridine-3-carbonitrile;methane;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline (PubChem CID 158589167) has the molecular formula C57H57Cl3N20O5 and a molecular weight of 1208.58 g/mol. Its IUPAC name is 6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbonitrile;N-[5-cyano-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;4,6-dichloropyridine-3-carbonitrile;methane;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

• Compound Name: 6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbonitrile;N-[5-cyano-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;4,6-dichloropyridine-3-carbonitrile;methane;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline
• PubChem CID: 158589167
• Molecular Formula: C57H57Cl3N20O5
• Molecular Weight: 1208.58 g/mol
• Exact Mass: 1206.39
• IUPAC Name: 6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbonitrile;N-[5-cyano-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;4,6-dichloropyridine-3-carbonitrile;methane;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline
• SMILES: C.COc1c(N)cccc1-c1ncn(C)n1.COc1c(Nc2cc(Cl)ncc2C#N)cccc1-c1ncn(C)n1.COc1c(Nc2cc(NC(=O)C3CC3)ncc2C#N)cccc1-c1ncn(C)n1.N#Cc1cnc(Cl)cc1Cl.NC(=O)C1CC1
• InChI: InChI=1S/C20H19N7O2.C16H13ClN6O.C10H12N4O.C6H2Cl2N2.C4H7NO.CH4/c1-27-11-23-19(26-27)14-4-3-5-15(18(14)29-2)24-16-8-17(22-10-13(16)9-21)25-20(28)12-6-7-12;1-23-9-20-16(22-23)11-4-3-5-12(15(11)24-2)21-13-6-14(17)19-8-10(13)7-18;1-14-6-12-10(13-14)7-4-3-5-8(11)9(7)15-2;7-5-1-6(8)10-3-4(5)2-9;5-4(6)3-1-2-3;/h3-5,8,10-12H,6-7H2,1-2H3,(H2,22,24,25,28);3-6,8-9H,1-2H3,(H,19,21);3-6H,11H2,1-2H3;1,3H;3H,1-2H2,(H2,5,6);1H4
• InChIKey: HUFMLSKDKQKZKU-UHFFFAOYSA-N
• XLogP: 9.85
• TPSA: 352.13 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 13
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1208.58
LogP ≤ 5	9.85
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbonitrile;N-[5-cyano-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;4,6-dichloropyridine-3-carbonitrile;methane;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline?

The IUPAC name of 6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbonitrile;N-[5-cyano-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;4,6-dichloropyridine-3-carbonitrile;methane;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline (CID 158589167) is 6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbonitrile;N-[5-cyano-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;4,6-dichloropyridine-3-carbonitrile;methane;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline.

What is the SMILES notation for 6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbonitrile;N-[5-cyano-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;4,6-dichloropyridine-3-carbonitrile;methane;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline?

The canonical SMILES for 6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbonitrile;N-[5-cyano-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;4,6-dichloropyridine-3-carbonitrile;methane;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline is C.COc1c(N)cccc1-c1ncn(C)n1.COc1c(Nc2cc(Cl)ncc2C#N)cccc1-c1ncn(C)n1.COc1c(Nc2cc(NC(=O)C3CC3)ncc2C#N)cccc1-c1ncn(C)n1.N#Cc1cnc(Cl)cc1Cl.NC(=O)C1CC1.

What is the InChIKey of 6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbonitrile;N-[5-cyano-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;4,6-dichloropyridine-3-carbonitrile;methane;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline?

The InChIKey is HUFMLSKDKQKZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2.C16H13ClN6O.C10H12N4O.C6H2Cl2N2.C4H7NO.CH4/c1-27-11-23-19(26-27)14-4-3-5-15(18(14)29-2)24-16-8-17(22-10-13(16)9-21)25-20(28)12-6-7-12;1-23-9-20-16(22-23)11-4-3-5-12(15(11)24-2)21-13-6-14(17)19-8-10(13)7-18;1-14-6-12-10(13-14)7-4-3-5-8(11)9(7)15-2;7-5-1-6(8)10-3-4(5)2-9;5-4(6)3-1-2-3;/h3-5,8,10-12H,6-7H2,1-2H3,(H2,22,24,25,28);3-6,8-9H,1-2H3,(H,19,21);3-6H,11H2,1-2H3;1,3H;3H,1-2H2,(H2,5,6);1H4.

What are the key properties of 6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbonitrile;N-[5-cyano-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;4,6-dichloropyridine-3-carbonitrile;methane;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline?

6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbonitrile;N-[5-cyano-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;4,6-dichloropyridine-3-carbonitrile;methane;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 1208.58 g/mol, XLogP of 9.85, 13 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbonitrile;N-[5-cyano-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;4,6-dichloropyridine-3-carbonitrile;methane;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 158589167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).