N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-phenylpyridine-3-carboxamide;6-chloro-3-nitropyridin-2-amine;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-6-phenylpyridine-3-carboxamide;methyl 6-chloropyridine-3-carboxylate;methyl 6-phenylpyridine-3-carboxylate;6-phenylpyridine-3-carboxylic acid

C94H70Cl2F3N17O14 — CID 158711979

About N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-phenylpyridine-3-carboxamide;6-chloro-3-nitropyridin-2-amine;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-6-phenylpyridine-3-carboxamide;methyl 6-chloropyridine-3-carboxylate;methyl 6-phenylpyridine-3-carboxylate;6-phenylpyridine-3-carboxylic acid

N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-phenylpyridine-3-carboxamide;6-chloro-3-nitropyridin-2-amine;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-6-phenylpyridine-3-carboxamide;methyl 6-chloropyridine-3-carboxylate;methyl 6-phenylpyridine-3-carboxylate;6-phenylpyridine-3-carboxylic acid (PubChem CID 158711979) has the molecular formula C94H70Cl2F3N17O14 and a molecular weight of 1789.60 g/mol. Its IUPAC name is N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-phenylpyridine-3-carboxamide;6-chloro-3-nitropyridin-2-amine;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-6-phenylpyridine-3-carboxamide;methyl 6-chloropyridine-3-carboxylate;methyl 6-phenylpyridine-3-carboxylate;6-phenylpyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-phenylpyridine-3-carboxamide;6-chloro-3-nitropyridin-2-amine;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-6-phenylpyridine-3-carboxamide;methyl 6-chloropyridine-3-carboxylate;methyl 6-phenylpyridine-3-carboxylate;6-phenylpyridine-3-carboxylic acid
• PubChem CID: 158711979
• Molecular Formula: C94H70Cl2F3N17O14
• Molecular Weight: 1789.60 g/mol
• Exact Mass: 1787.46
• IUPAC Name: N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-phenylpyridine-3-carboxamide;6-chloro-3-nitropyridin-2-amine;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-6-phenylpyridine-3-carboxamide;methyl 6-chloropyridine-3-carboxylate;methyl 6-phenylpyridine-3-carboxylate;6-phenylpyridine-3-carboxylic acid
• SMILES: COC(=O)c1ccc(-c2ccccc2)nc1.COC(=O)c1ccc(Cl)nc1.Nc1ccc(-c2ccc(F)cc2)nc1NC(=O)c1ccc(-c2ccccc2)nc1.Nc1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-].Nc1nc(Cl)ccc1[N+](=O)[O-].O=C(Nc1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-])c1ccc(-c2ccccc2)nc1.O=C(O)c1ccc(-c2ccccc2)nc1
• InChI: InChI=1S/C23H15FN4O3.C23H17FN4O.C13H11NO2.C12H9NO2.C11H8FN3O2.C7H6ClNO2.C5H4ClN3O2/c24-18-9-6-16(7-10-18)20-12-13-21(28(30)31)22(26-20)27-23(29)17-8-11-19(25-14-17)15-4-2-1-3-5-15;24-18-9-6-16(7-10-18)21-13-11-19(25)22(27-21)28-23(29)17-8-12-20(26-14-17)15-4-2-1-3-5-15;1-16-13(15)11-7-8-12(14-9-11)10-5-3-2-4-6-10;14-12(15)10-6-7-11(13-8-10)9-4-2-1-3-5-9;12-8-3-1-7(2-4-8)9-5-6-10(15(16)17)11(13)14-9;1-11-7(10)5-2-3-6(8)9-4-5;6-4-2-1-3(9(10)11)5(7)8-4/h1-14H,(H,26,27,29);1-14H,25H2,(H,27,28,29);2-9H,1H3;1-8H,(H,14,15);1-6H,(H2,13,14);2-4H,1H3;1-2H,(H2,7,8)
• InChIKey: IIVMUQFGSOVNRU-UHFFFAOYSA-N
• XLogP: 20.00
• TPSA: 471.59 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1789.60
LogP ≤ 5	20.00
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-phenylpyridine-3-carboxamide;6-chloro-3-nitropyridin-2-amine;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-6-phenylpyridine-3-carboxamide;methyl 6-chloropyridine-3-carboxylate;methyl 6-phenylpyridine-3-carboxylate;6-phenylpyridine-3-carboxylic acid?

The IUPAC name of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-phenylpyridine-3-carboxamide;6-chloro-3-nitropyridin-2-amine;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-6-phenylpyridine-3-carboxamide;methyl 6-chloropyridine-3-carboxylate;methyl 6-phenylpyridine-3-carboxylate;6-phenylpyridine-3-carboxylic acid (CID 158711979) is N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-phenylpyridine-3-carboxamide;6-chloro-3-nitropyridin-2-amine;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-6-phenylpyridine-3-carboxamide;methyl 6-chloropyridine-3-carboxylate;methyl 6-phenylpyridine-3-carboxylate;6-phenylpyridine-3-carboxylic acid.

What is the SMILES notation for N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-phenylpyridine-3-carboxamide;6-chloro-3-nitropyridin-2-amine;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-6-phenylpyridine-3-carboxamide;methyl 6-chloropyridine-3-carboxylate;methyl 6-phenylpyridine-3-carboxylate;6-phenylpyridine-3-carboxylic acid?

The canonical SMILES for N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-phenylpyridine-3-carboxamide;6-chloro-3-nitropyridin-2-amine;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-6-phenylpyridine-3-carboxamide;methyl 6-chloropyridine-3-carboxylate;methyl 6-phenylpyridine-3-carboxylate;6-phenylpyridine-3-carboxylic acid is COC(=O)c1ccc(-c2ccccc2)nc1.COC(=O)c1ccc(Cl)nc1.Nc1ccc(-c2ccc(F)cc2)nc1NC(=O)c1ccc(-c2ccccc2)nc1.Nc1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-].Nc1nc(Cl)ccc1[N+](=O)[O-].O=C(Nc1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-])c1ccc(-c2ccccc2)nc1.O=C(O)c1ccc(-c2ccccc2)nc1.

What is the InChIKey of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-phenylpyridine-3-carboxamide;6-chloro-3-nitropyridin-2-amine;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-6-phenylpyridine-3-carboxamide;methyl 6-chloropyridine-3-carboxylate;methyl 6-phenylpyridine-3-carboxylate;6-phenylpyridine-3-carboxylic acid?

The InChIKey is IIVMUQFGSOVNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN4O3.C23H17FN4O.C13H11NO2.C12H9NO2.C11H8FN3O2.C7H6ClNO2.C5H4ClN3O2/c24-18-9-6-16(7-10-18)20-12-13-21(28(30)31)22(26-20)27-23(29)17-8-11-19(25-14-17)15-4-2-1-3-5-15;24-18-9-6-16(7-10-18)21-13-11-19(25)22(27-21)28-23(29)17-8-12-20(26-14-17)15-4-2-1-3-5-15;1-16-13(15)11-7-8-12(14-9-11)10-5-3-2-4-6-10;14-12(15)10-6-7-11(13-8-10)9-4-2-1-3-5-9;12-8-3-1-7(2-4-8)9-5-6-10(15(16)17)11(13)14-9;1-11-7(10)5-2-3-6(8)9-4-5;6-4-2-1-3(9(10)11)5(7)8-4/h1-14H,(H,26,27,29);1-14H,25H2,(H,27,28,29);2-9H,1H3;1-8H,(H,14,15);1-6H,(H2,13,14);2-4H,1H3;1-2H,(H2,7,8).

What are the key properties of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-phenylpyridine-3-carboxamide;6-chloro-3-nitropyridin-2-amine;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-6-phenylpyridine-3-carboxamide;methyl 6-chloropyridine-3-carboxylate;methyl 6-phenylpyridine-3-carboxylate;6-phenylpyridine-3-carboxylic acid?

N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-phenylpyridine-3-carboxamide;6-chloro-3-nitropyridin-2-amine;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-6-phenylpyridine-3-carboxamide;methyl 6-chloropyridine-3-carboxylate;methyl 6-phenylpyridine-3-carboxylate;6-phenylpyridine-3-carboxylic acid has a molecular weight of 1789.60 g/mol, XLogP of 20.00, 17 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-phenylpyridine-3-carboxamide;6-chloro-3-nitropyridin-2-amine;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-6-phenylpyridine-3-carboxamide;methyl 6-chloropyridine-3-carboxylate;methyl 6-phenylpyridine-3-carboxylate;6-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 158711979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).