2-[(5-amino-2-pyridinyl)-methylamino]ethanol;2-chloro-5-nitropyridine;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]propan-2-one;2-[methyl-(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride

C65H81Cl4N17O10 — CID 160619282

About 2-[(5-amino-2-pyridinyl)-methylamino]ethanol;2-chloro-5-nitropyridine;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]propan-2-one;2-[methyl-(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride

2-[(5-amino-2-pyridinyl)-methylamino]ethanol;2-chloro-5-nitropyridine;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]propan-2-one;2-[methyl-(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride (PubChem CID 160619282) has the molecular formula C65H81Cl4N17O10 and a molecular weight of 1402.28 g/mol. Its IUPAC name is 2-[(5-amino-2-pyridinyl)-methylamino]ethanol;2-chloro-5-nitropyridine;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]propan-2-one;2-[methyl-(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride.

Molecular Properties

• Compound Name: 2-[(5-amino-2-pyridinyl)-methylamino]ethanol;2-chloro-5-nitropyridine;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]propan-2-one;2-[methyl-(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride
• PubChem CID: 160619282
• Molecular Formula: C65H81Cl4N17O10
• Molecular Weight: 1402.28 g/mol
• Exact Mass: 1399.51
• IUPAC Name: 2-[(5-amino-2-pyridinyl)-methylamino]ethanol;2-chloro-5-nitropyridine;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]propan-2-one;2-[methyl-(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride
• SMILES: CC(=O)Cc1ccc(N(C)CCO)nc1.CN(CCO)c1ccc(N)cn1.CN(CCO)c1ccc([N+](=O)[O-])cn1.Cc1cc(CCC(=O)Cc2ccc(N(C)CCO)nc2)n(-c2cccc(Cl)c2)n1.Cc1cc(CN)n(-c2cccc(Cl)c2)n1.Cl.O=[N+]([O-])c1ccc(Cl)nc1
• InChI: InChI=1S/C22H25ClN4O2.C11H12ClN3.C11H16N2O2.C8H11N3O3.C8H13N3O.C5H3ClN2O2.ClH/c1-16-12-20(27(25-16)19-5-3-4-18(23)14-19)7-8-21(29)13-17-6-9-22(24-15-17)26(2)10-11-28;1-8-5-11(7-13)15(14-8)10-4-2-3-9(12)6-10;1-9(15)7-10-3-4-11(12-8-10)13(2)5-6-14;1-10(4-5-12)8-3-2-7(6-9-8)11(13)14;1-11(4-5-12)8-3-2-7(9)6-10-8;6-5-2-1-4(3-7-5)8(9)10;/h3-6,9,12,14-15,28H,7-8,10-11,13H2,1-2H3;2-6H,7,13H2,1H3;3-4,8,14H,5-7H2,1-2H3;2-3,6,12H,4-5H2,1H3;2-3,6,12H,4-5,9H2,1H3;1-3H;1H
• InChIKey: NPVOZJILYGZVHA-UHFFFAOYSA-N
• XLogP: 8.91
• TPSA: 366.43 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 24
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1402.28
LogP ≤ 5	8.91
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 2-[(5-amino-2-pyridinyl)-methylamino]ethanol;2-chloro-5-nitropyridine;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]propan-2-one;2-[methyl-(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride?

The IUPAC name of 2-[(5-amino-2-pyridinyl)-methylamino]ethanol;2-chloro-5-nitropyridine;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]propan-2-one;2-[methyl-(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride (CID 160619282) is 2-[(5-amino-2-pyridinyl)-methylamino]ethanol;2-chloro-5-nitropyridine;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]propan-2-one;2-[methyl-(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride.

What is the SMILES notation for 2-[(5-amino-2-pyridinyl)-methylamino]ethanol;2-chloro-5-nitropyridine;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]propan-2-one;2-[methyl-(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride?

The canonical SMILES for 2-[(5-amino-2-pyridinyl)-methylamino]ethanol;2-chloro-5-nitropyridine;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]propan-2-one;2-[methyl-(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride is CC(=O)Cc1ccc(N(C)CCO)nc1.CN(CCO)c1ccc(N)cn1.CN(CCO)c1ccc([N+](=O)[O-])cn1.Cc1cc(CCC(=O)Cc2ccc(N(C)CCO)nc2)n(-c2cccc(Cl)c2)n1.Cc1cc(CN)n(-c2cccc(Cl)c2)n1.Cl.O=[N+]([O-])c1ccc(Cl)nc1.

What is the InChIKey of 2-[(5-amino-2-pyridinyl)-methylamino]ethanol;2-chloro-5-nitropyridine;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]propan-2-one;2-[methyl-(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride?

The InChIKey is NPVOZJILYGZVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O2.C11H12ClN3.C11H16N2O2.C8H11N3O3.C8H13N3O.C5H3ClN2O2.ClH/c1-16-12-20(27(25-16)19-5-3-4-18(23)14-19)7-8-21(29)13-17-6-9-22(24-15-17)26(2)10-11-28;1-8-5-11(7-13)15(14-8)10-4-2-3-9(12)6-10;1-9(15)7-10-3-4-11(12-8-10)13(2)5-6-14;1-10(4-5-12)8-3-2-7(6-9-8)11(13)14;1-11(4-5-12)8-3-2-7(9)6-10-8;6-5-2-1-4(3-7-5)8(9)10;/h3-6,9,12,14-15,28H,7-8,10-11,13H2,1-2H3;2-6H,7,13H2,1H3;3-4,8,14H,5-7H2,1-2H3;2-3,6,12H,4-5H2,1H3;2-3,6,12H,4-5,9H2,1H3;1-3H;1H.

What are the key properties of 2-[(5-amino-2-pyridinyl)-methylamino]ethanol;2-chloro-5-nitropyridine;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]propan-2-one;2-[methyl-(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride?

2-[(5-amino-2-pyridinyl)-methylamino]ethanol;2-chloro-5-nitropyridine;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]propan-2-one;2-[methyl-(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride has a molecular weight of 1402.28 g/mol, XLogP of 8.91, 24 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-amino-2-pyridinyl)-methylamino]ethanol;2-chloro-5-nitropyridine;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]propan-2-one;2-[methyl-(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride is sourced from PubChem (CID 160619282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).