6-chloro-N,N-dimethyl-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;2-(3,4-difluorophenyl)-N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]acetamide;bis(6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethyl-3-nitropyridine-2,6-diamine);6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine

C76H78Cl3F6N21O9 — CID 157130702

About 6-chloro-N,N-dimethyl-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;2-(3,4-difluorophenyl)-N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]acetamide;bis(6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethyl-3-nitropyridine-2,6-diamine);6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine

6-chloro-N,N-dimethyl-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;2-(3,4-difluorophenyl)-N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]acetamide;bis(6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethyl-3-nitropyridine-2,6-diamine);6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine (PubChem CID 157130702) has the molecular formula C76H78Cl3F6N21O9 and a molecular weight of 1649.94 g/mol. Its IUPAC name is 6-chloro-N,N-dimethyl-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;2-(3,4-difluorophenyl)-N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]acetamide;bis(6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethyl-3-nitropyridine-2,6-diamine);6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine.

Molecular Properties

• Compound Name: 6-chloro-N,N-dimethyl-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;2-(3,4-difluorophenyl)-N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]acetamide;bis(6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethyl-3-nitropyridine-2,6-diamine);6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine
• PubChem CID: 157130702
• Molecular Formula: C76H78Cl3F6N21O9
• Molecular Weight: 1649.94 g/mol
• Exact Mass: 1647.53
• IUPAC Name: 6-chloro-N,N-dimethyl-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;2-(3,4-difluorophenyl)-N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]acetamide;bis(6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethyl-3-nitropyridine-2,6-diamine);6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine
• SMILES: CN(C)c1nc(Cl)ccc1[N+](=O)[O-].CN(C)c1nc(NCc2ccc(F)cc2)ccc1N.CN(C)c1nc(NCc2ccc(F)cc2)ccc1NC(=O)Cc1ccc(F)c(F)c1.CN(C)c1nc(NCc2ccc(F)cc2)ccc1[N+](=O)[O-].CN(C)c1nc(NCc2ccc(F)cc2)ccc1[N+](=O)[O-].O=[N+]([O-])c1ccc(Cl)nc1Cl
• InChI: InChI=1S/C22H21F3N4O.2C14H15FN4O2.C14H17FN4.C7H8ClN3O2.C5H2Cl2N2O2/c1-29(2)22-19(27-21(30)12-15-5-8-17(24)18(25)11-15)9-10-20(28-22)26-13-14-3-6-16(23)7-4-14;2*1-18(2)14-12(19(20)21)7-8-13(17-14)16-9-10-3-5-11(15)6-4-10;1-19(2)14-12(16)7-8-13(18-14)17-9-10-3-5-11(15)6-4-10;1-10(2)7-5(11(12)13)3-4-6(8)9-7;6-4-2-1-3(9(10)11)5(7)8-4/h3-11H,12-13H2,1-2H3,(H,26,28)(H,27,30);2*3-8H,9H2,1-2H3,(H,16,17);3-8H,9,16H2,1-2H3,(H,17,18);3-4H,1-2H3;1-2H
• InChIKey: AJANLNCPXMBMLE-UHFFFAOYSA-N
• XLogP: 16.46
• TPSA: 369.34 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 24
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1649.94
LogP ≤ 5	16.46
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 6-chloro-N,N-dimethyl-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;2-(3,4-difluorophenyl)-N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]acetamide;bis(6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethyl-3-nitropyridine-2,6-diamine);6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine?

The IUPAC name of 6-chloro-N,N-dimethyl-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;2-(3,4-difluorophenyl)-N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]acetamide;bis(6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethyl-3-nitropyridine-2,6-diamine);6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine (CID 157130702) is 6-chloro-N,N-dimethyl-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;2-(3,4-difluorophenyl)-N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]acetamide;bis(6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethyl-3-nitropyridine-2,6-diamine);6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine.

What is the SMILES notation for 6-chloro-N,N-dimethyl-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;2-(3,4-difluorophenyl)-N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]acetamide;bis(6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethyl-3-nitropyridine-2,6-diamine);6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine?

The canonical SMILES for 6-chloro-N,N-dimethyl-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;2-(3,4-difluorophenyl)-N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]acetamide;bis(6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethyl-3-nitropyridine-2,6-diamine);6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine is CN(C)c1nc(Cl)ccc1[N+](=O)[O-].CN(C)c1nc(NCc2ccc(F)cc2)ccc1N.CN(C)c1nc(NCc2ccc(F)cc2)ccc1NC(=O)Cc1ccc(F)c(F)c1.CN(C)c1nc(NCc2ccc(F)cc2)ccc1[N+](=O)[O-].CN(C)c1nc(NCc2ccc(F)cc2)ccc1[N+](=O)[O-].O=[N+]([O-])c1ccc(Cl)nc1Cl.

What is the InChIKey of 6-chloro-N,N-dimethyl-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;2-(3,4-difluorophenyl)-N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]acetamide;bis(6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethyl-3-nitropyridine-2,6-diamine);6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine?

The InChIKey is AJANLNCPXMBMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O.2C14H15FN4O2.C14H17FN4.C7H8ClN3O2.C5H2Cl2N2O2/c1-29(2)22-19(27-21(30)12-15-5-8-17(24)18(25)11-15)9-10-20(28-22)26-13-14-3-6-16(23)7-4-14;2*1-18(2)14-12(19(20)21)7-8-13(17-14)16-9-10-3-5-11(15)6-4-10;1-19(2)14-12(16)7-8-13(18-14)17-9-10-3-5-11(15)6-4-10;1-10(2)7-5(11(12)13)3-4-6(8)9-7;6-4-2-1-3(9(10)11)5(7)8-4/h3-11H,12-13H2,1-2H3,(H,26,28)(H,27,30);2*3-8H,9H2,1-2H3,(H,16,17);3-8H,9,16H2,1-2H3,(H,17,18);3-4H,1-2H3;1-2H.

What are the key properties of 6-chloro-N,N-dimethyl-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;2-(3,4-difluorophenyl)-N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]acetamide;bis(6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethyl-3-nitropyridine-2,6-diamine);6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine?

6-chloro-N,N-dimethyl-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;2-(3,4-difluorophenyl)-N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]acetamide;bis(6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethyl-3-nitropyridine-2,6-diamine);6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine has a molecular weight of 1649.94 g/mol, XLogP of 16.46, 24 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N,N-dimethyl-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine;2-(3,4-difluorophenyl)-N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]acetamide;bis(6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethyl-3-nitropyridine-2,6-diamine);6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine is sourced from PubChem (CID 157130702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).