bis(3-amino-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one);3-(bromomethyl)-2-nitropyridine;tert-butyl N-(1-hydroxy-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl)carbamate;ethyl 2-(benzhydrylideneamino)acetate;ethyl 2-(benzhydrylideneamino)-3-(2-nitro-3-pyridinyl)propanoate;3-methyl-2-nitropyridine;3-methylpyridin-2-amine

C87H92BrN19O18 — CID 160949175

IUPACbis(3-amino-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one);3-(bromomethyl)-2-nitropyridine;tert-butyl N-(1-hydroxy-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl)carbamate;ethyl 2-(benzhydrylideneamino)acetate;ethyl 2-(benzhydrylideneamino)-3-(2-nitro-3-pyridinyl)propanoate;3-methyl-2-nitropyridine;3-methylpyridin-2-amine
SMILESCC(C)(C)OC(=O)NC1Cc2cccnc2N(O)C1=O.CCOC(=O)C(Cc1cccnc1[N+](=O)[O-])N=C(c1ccccc1)c1ccccc1.CCOC(=O)CN=C(c1ccccc1)c1ccccc1.Cc1cccnc1N.Cc1cccnc1[N+](=O)[O-].NC1Cc2cccnc2N(O)C1=O.NC1Cc2cccnc2N(O)C1=O.O=[N+]([O-])c1ncccc1CBr
InChIInChI=1S/C23H21N3O4.C17H17NO2.C13H17N3O4.2C8H9N3O2.C6H5BrN2O2.C6H6N2O2.C6H8N2/c1-2-30-23(27)20(16-19-14-9-15-24-22(19)26(28)29)25-21(17-10-5-3-6-11-17)18-12-7-4-8-13-18;1-2-20-16(19)13-18-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-13(2,3)20-12(18)15-9-7-8-5-4-6-14-10(8)16(19)11(9)17;2*9-6-4-5-2-1-3-10-7(5)11(13)8(6)12;7-4-5-2-1-3-8-6(5)9(10)11;1-5-3-2-4-7-6(5)8(9)10;1-5-3-2-4-8-6(5)7/h3-15,20H,2,16H2,1H3;3-12H,2,13H2,1H3;4-6,9,19H,7H2,1-3H3,(H,15,18);2*1-3,6,13H,4,9H2;1-3H,4H2;2-4H,1H3;2-4H,1H3,(H2,7,8)
InChIKeySVNIZVMKIZAXQH-UHFFFAOYSA-N
MW1771.71 g/mol
LogP11.87
Rot. Bonds17

About bis(3-amino-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one);3-(bromomethyl)-2-nitropyridine;tert-butyl N-(1-hydroxy-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl)carbamate;ethyl 2-(benzhydrylideneamino)acetate;ethyl 2-(benzhydrylideneamino)-3-(2-nitro-3-pyridinyl)propanoate;3-methyl-2-nitropyridine;3-methylpyridin-2-amine

bis(3-amino-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one);3-(bromomethyl)-2-nitropyridine;tert-butyl N-(1-hydroxy-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl)carbamate;ethyl 2-(benzhydrylideneamino)acetate;ethyl 2-(benzhydrylideneamino)-3-(2-nitro-3-pyridinyl)propanoate;3-methyl-2-nitropyridine;3-methylpyridin-2-amine (PubChem CID 160949175) has the molecular formula C87H92BrN19O18 and a molecular weight of 1771.71 g/mol. Its IUPAC name is bis(3-amino-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one);3-(bromomethyl)-2-nitropyridine;tert-butyl N-(1-hydroxy-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl)carbamate;ethyl 2-(benzhydrylideneamino)acetate;ethyl 2-(benzhydrylideneamino)-3-(2-nitro-3-pyridinyl)propanoate;3-methyl-2-nitropyridine;3-methylpyridin-2-amine.

Molecular Properties

Compound Namebis(3-amino-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one);3-(bromomethyl)-2-nitropyridine;tert-butyl N-(1-hydroxy-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl)carbamate;ethyl 2-(benzhydrylideneamino)acetate;ethyl 2-(benzhydrylideneamino)-3-(2-nitro-3-pyridinyl)propanoate;3-methyl-2-nitropyridine;3-methylpyridin-2-amine
PubChem CID160949175
Molecular FormulaC87H92BrN19O18
Molecular Weight1771.71 g/mol
Exact Mass1769.61
IUPAC Namebis(3-amino-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one);3-(bromomethyl)-2-nitropyridine;tert-butyl N-(1-hydroxy-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl)carbamate;ethyl 2-(benzhydrylideneamino)acetate;ethyl 2-(benzhydrylideneamino)-3-(2-nitro-3-pyridinyl)propanoate;3-methyl-2-nitropyridine;3-methylpyridin-2-amine
SMILESCC(C)(C)OC(=O)NC1Cc2cccnc2N(O)C1=O.CCOC(=O)C(Cc1cccnc1[N+](=O)[O-])N=C(c1ccccc1)c1ccccc1.CCOC(=O)CN=C(c1ccccc1)c1ccccc1.Cc1cccnc1N.Cc1cccnc1[N+](=O)[O-].NC1Cc2cccnc2N(O)C1=O.NC1Cc2cccnc2N(O)C1=O.O=[N+]([O-])c1ncccc1CBr
InChIInChI=1S/C23H21N3O4.C17H17NO2.C13H17N3O4.2C8H9N3O2.C6H5BrN2O2.C6H6N2O2.C6H8N2/c1-2-30-23(27)20(16-19-14-9-15-24-22(19)26(28)29)25-21(17-10-5-3-6-11-17)18-12-7-4-8-13-18;1-2-20-16(19)13-18-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-13(2,3)20-12(18)15-9-7-8-5-4-6-14-10(8)16(19)11(9)17;2*9-6-4-5-2-1-3-10-7(5)11(13)8(6)12;7-4-5-2-1-3-8-6(5)9(10)11;1-5-3-2-4-7-6(5)8(9)10;1-5-3-2-4-8-6(5)7/h3-15,20H,2,16H2,1H3;3-12H,2,13H2,1H3;4-6,9,19H,7H2,1-3H3,(H,15,18);2*1-3,6,13H,4,9H2;1-3H,4H2;2-4H,1H3;2-4H,1H3,(H2,7,8)
InChIKeySVNIZVMKIZAXQH-UHFFFAOYSA-N
XLogP11.87
TPSA534.98 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds17
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001771.71
LogP ≤ 511.87
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze bis(3-amino-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one);3-(bromomethyl)-2-nitropyridine;tert-butyl N-(1-hydroxy-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl)carbamate;ethyl 2-(benzhydrylideneamino)acetate;ethyl 2-(benzhydrylideneamino)-3-(2-nitro-3-pyridinyl)propanoate;3-methyl-2-nitropyridine;3-methylpyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(3-amino-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one);3-(bromomethyl)-2-nitropyridine;tert-butyl N-(1-hydroxy-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl)carbamate;ethyl 2-(benzhydrylideneamino)acetate;ethyl 2-(benzhydrylideneamino)-3-(2-nitro-3-pyridinyl)propanoate;3-methyl-2-nitropyridine;3-methylpyridin-2-amine?
The IUPAC name of bis(3-amino-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one);3-(bromomethyl)-2-nitropyridine;tert-butyl N-(1-hydroxy-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl)carbamate;ethyl 2-(benzhydrylideneamino)acetate;ethyl 2-(benzhydrylideneamino)-3-(2-nitro-3-pyridinyl)propanoate;3-methyl-2-nitropyridine;3-methylpyridin-2-amine (CID 160949175) is bis(3-amino-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one);3-(bromomethyl)-2-nitropyridine;tert-butyl N-(1-hydroxy-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl)carbamate;ethyl 2-(benzhydrylideneamino)acetate;ethyl 2-(benzhydrylideneamino)-3-(2-nitro-3-pyridinyl)propanoate;3-methyl-2-nitropyridine;3-methylpyridin-2-amine.
What is the SMILES notation for bis(3-amino-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one);3-(bromomethyl)-2-nitropyridine;tert-butyl N-(1-hydroxy-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl)carbamate;ethyl 2-(benzhydrylideneamino)acetate;ethyl 2-(benzhydrylideneamino)-3-(2-nitro-3-pyridinyl)propanoate;3-methyl-2-nitropyridine;3-methylpyridin-2-amine?
The canonical SMILES for bis(3-amino-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one);3-(bromomethyl)-2-nitropyridine;tert-butyl N-(1-hydroxy-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl)carbamate;ethyl 2-(benzhydrylideneamino)acetate;ethyl 2-(benzhydrylideneamino)-3-(2-nitro-3-pyridinyl)propanoate;3-methyl-2-nitropyridine;3-methylpyridin-2-amine is CC(C)(C)OC(=O)NC1Cc2cccnc2N(O)C1=O.CCOC(=O)C(Cc1cccnc1[N+](=O)[O-])N=C(c1ccccc1)c1ccccc1.CCOC(=O)CN=C(c1ccccc1)c1ccccc1.Cc1cccnc1N.Cc1cccnc1[N+](=O)[O-].NC1Cc2cccnc2N(O)C1=O.NC1Cc2cccnc2N(O)C1=O.O=[N+]([O-])c1ncccc1CBr.
What is the InChIKey of bis(3-amino-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one);3-(bromomethyl)-2-nitropyridine;tert-butyl N-(1-hydroxy-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl)carbamate;ethyl 2-(benzhydrylideneamino)acetate;ethyl 2-(benzhydrylideneamino)-3-(2-nitro-3-pyridinyl)propanoate;3-methyl-2-nitropyridine;3-methylpyridin-2-amine?
The InChIKey is SVNIZVMKIZAXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4.C17H17NO2.C13H17N3O4.2C8H9N3O2.C6H5BrN2O2.C6H6N2O2.C6H8N2/c1-2-30-23(27)20(16-19-14-9-15-24-22(19)26(28)29)25-21(17-10-5-3-6-11-17)18-12-7-4-8-13-18;1-2-20-16(19)13-18-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-13(2,3)20-12(18)15-9-7-8-5-4-6-14-10(8)16(19)11(9)17;2*9-6-4-5-2-1-3-10-7(5)11(13)8(6)12;7-4-5-2-1-3-8-6(5)9(10)11;1-5-3-2-4-7-6(5)8(9)10;1-5-3-2-4-8-6(5)7/h3-15,20H,2,16H2,1H3;3-12H,2,13H2,1H3;4-6,9,19H,7H2,1-3H3,(H,15,18);2*1-3,6,13H,4,9H2;1-3H,4H2;2-4H,1H3;2-4H,1H3,(H2,7,8).
What are the key properties of bis(3-amino-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one);3-(bromomethyl)-2-nitropyridine;tert-butyl N-(1-hydroxy-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl)carbamate;ethyl 2-(benzhydrylideneamino)acetate;ethyl 2-(benzhydrylideneamino)-3-(2-nitro-3-pyridinyl)propanoate;3-methyl-2-nitropyridine;3-methylpyridin-2-amine?
bis(3-amino-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one);3-(bromomethyl)-2-nitropyridine;tert-butyl N-(1-hydroxy-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl)carbamate;ethyl 2-(benzhydrylideneamino)acetate;ethyl 2-(benzhydrylideneamino)-3-(2-nitro-3-pyridinyl)propanoate;3-methyl-2-nitropyridine;3-methylpyridin-2-amine has a molecular weight of 1771.71 g/mol, XLogP of 11.87, 17 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-amino-1-hydroxy-3,4-dihydro-1,8-naphthyridin-2-one);3-(bromomethyl)-2-nitropyridine;tert-butyl N-(1-hydroxy-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl)carbamate;ethyl 2-(benzhydrylideneamino)acetate;ethyl 2-(benzhydrylideneamino)-3-(2-nitro-3-pyridinyl)propanoate;3-methyl-2-nitropyridine;3-methylpyridin-2-amine is sourced from PubChem (CID 160949175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).