4-aminopyridine-3-carboxylic acid;ethyl 4-amino-5-nitropyridine-3-carboxylate;ethyl 2-methyl-3H-imidazo[4,5-c]pyridine-7-carboxylate;2-methyl-N-[4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-7-carboxamide

C39H37F3N12O9 — CID 162061555

About 4-aminopyridine-3-carboxylic acid;ethyl 4-amino-5-nitropyridine-3-carboxylate;ethyl 2-methyl-3H-imidazo[4,5-c]pyridine-7-carboxylate;2-methyl-N-[4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-7-carboxamide

4-aminopyridine-3-carboxylic acid;ethyl 4-amino-5-nitropyridine-3-carboxylate;ethyl 2-methyl-3H-imidazo[4,5-c]pyridine-7-carboxylate;2-methyl-N-[4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-7-carboxamide (PubChem CID 162061555) has the molecular formula C39H37F3N12O9 and a molecular weight of 874.79 g/mol. Its IUPAC name is 4-aminopyridine-3-carboxylic acid;ethyl 4-amino-5-nitropyridine-3-carboxylate;ethyl 2-methyl-3H-imidazo[4,5-c]pyridine-7-carboxylate;2-methyl-N-[4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-7-carboxamide.

Molecular Properties

• Compound Name: 4-aminopyridine-3-carboxylic acid;ethyl 4-amino-5-nitropyridine-3-carboxylate;ethyl 2-methyl-3H-imidazo[4,5-c]pyridine-7-carboxylate;2-methyl-N-[4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-7-carboxamide
• PubChem CID: 162061555
• Molecular Formula: C39H37F3N12O9
• Molecular Weight: 874.79 g/mol
• Exact Mass: 874.28
• IUPAC Name: 4-aminopyridine-3-carboxylic acid;ethyl 4-amino-5-nitropyridine-3-carboxylate;ethyl 2-methyl-3H-imidazo[4,5-c]pyridine-7-carboxylate;2-methyl-N-[4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-7-carboxamide
• SMILES: CCOC(=O)c1cncc([N+](=O)[O-])c1N.CCOC(=O)c1cncc2[nH]c(C)nc12.Cc1nc2c(C(=O)Nc3ccc(C(F)(F)F)cc3)cncc2[nH]1.Nc1ccncc1C(=O)O
• InChI: InChI=1S/C15H11F3N4O.C10H11N3O2.C8H9N3O4.C6H6N2O2/c1-8-20-12-7-19-6-11(13(12)21-8)14(23)22-10-4-2-9(3-5-10)15(16,17)18;1-3-15-10(14)7-4-11-5-8-9(7)13-6(2)12-8;1-2-15-8(12)5-3-10-4-6(7(5)9)11(13)14;7-5-1-2-8-3-4(5)6(9)10/h2-7H,1H3,(H,20,21)(H,22,23);4-5H,3H2,1-2H3,(H,12,13);3-4H,2H2,1H3,(H2,9,10);1-3H,(H2,7,8)(H,9,10)
• InChIKey: YZXHURLEHOSHNP-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 323.10 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	874.79
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-aminopyridine-3-carboxylic acid;ethyl 4-amino-5-nitropyridine-3-carboxylate;ethyl 2-methyl-3H-imidazo[4,5-c]pyridine-7-carboxylate;2-methyl-N-[4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-7-carboxamide?

The IUPAC name of 4-aminopyridine-3-carboxylic acid;ethyl 4-amino-5-nitropyridine-3-carboxylate;ethyl 2-methyl-3H-imidazo[4,5-c]pyridine-7-carboxylate;2-methyl-N-[4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-7-carboxamide (CID 162061555) is 4-aminopyridine-3-carboxylic acid;ethyl 4-amino-5-nitropyridine-3-carboxylate;ethyl 2-methyl-3H-imidazo[4,5-c]pyridine-7-carboxylate;2-methyl-N-[4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-7-carboxamide.

What is the SMILES notation for 4-aminopyridine-3-carboxylic acid;ethyl 4-amino-5-nitropyridine-3-carboxylate;ethyl 2-methyl-3H-imidazo[4,5-c]pyridine-7-carboxylate;2-methyl-N-[4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-7-carboxamide?

The canonical SMILES for 4-aminopyridine-3-carboxylic acid;ethyl 4-amino-5-nitropyridine-3-carboxylate;ethyl 2-methyl-3H-imidazo[4,5-c]pyridine-7-carboxylate;2-methyl-N-[4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-7-carboxamide is CCOC(=O)c1cncc([N+](=O)[O-])c1N.CCOC(=O)c1cncc2[nH]c(C)nc12.Cc1nc2c(C(=O)Nc3ccc(C(F)(F)F)cc3)cncc2[nH]1.Nc1ccncc1C(=O)O.

What is the InChIKey of 4-aminopyridine-3-carboxylic acid;ethyl 4-amino-5-nitropyridine-3-carboxylate;ethyl 2-methyl-3H-imidazo[4,5-c]pyridine-7-carboxylate;2-methyl-N-[4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-7-carboxamide?

The InChIKey is YZXHURLEHOSHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O.C10H11N3O2.C8H9N3O4.C6H6N2O2/c1-8-20-12-7-19-6-11(13(12)21-8)14(23)22-10-4-2-9(3-5-10)15(16,17)18;1-3-15-10(14)7-4-11-5-8-9(7)13-6(2)12-8;1-2-15-8(12)5-3-10-4-6(7(5)9)11(13)14;7-5-1-2-8-3-4(5)6(9)10/h2-7H,1H3,(H,20,21)(H,22,23);4-5H,3H2,1-2H3,(H,12,13);3-4H,2H2,1H3,(H2,9,10);1-3H,(H2,7,8)(H,9,10).

What are the key properties of 4-aminopyridine-3-carboxylic acid;ethyl 4-amino-5-nitropyridine-3-carboxylate;ethyl 2-methyl-3H-imidazo[4,5-c]pyridine-7-carboxylate;2-methyl-N-[4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-7-carboxamide?

4-aminopyridine-3-carboxylic acid;ethyl 4-amino-5-nitropyridine-3-carboxylate;ethyl 2-methyl-3H-imidazo[4,5-c]pyridine-7-carboxylate;2-methyl-N-[4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-7-carboxamide has a molecular weight of 874.79 g/mol, XLogP of 6.09, 8 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-aminopyridine-3-carboxylic acid;ethyl 4-amino-5-nitropyridine-3-carboxylate;ethyl 2-methyl-3H-imidazo[4,5-c]pyridine-7-carboxylate;2-methyl-N-[4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-7-carboxamide is sourced from PubChem (CID 162061555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).