2-amino-5-nitropyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxamide;3,3-dimethylazetidine;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate;hydrochloride

C107H102Cl6N24O28 — CID 161297498

IUPAC2-amino-5-nitropyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxamide;3,3-dimethylazetidine;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate;hydrochloride
SMILESCC(C)(C)OC(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cc([N+](=O)[O-])cnc21.CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3cc([N+](=O)[O-])cnc32)C1.CC1(C)CNC1.COC(=O)CC(=O)NCc1ccc(Cl)cc1.Cl.Nc1ncc([N+](=O)[O-])cc1C=O.Nc1ncccc1C=O.O=C(NCc1ccc(Cl)cc1)c1cc2cc([N+](=O)[O-])cnc2[nH]c1=O.O=C(O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cc([N+](=O)[O-])cnc21
InChIInChI=1S/C23H22ClN5O5.C22H21ClN4O6.C18H13ClN4O6.C16H11ClN4O4.C11H12ClNO3.C6H5N3O3.C6H6N2O.C5H11N.ClH/c1-23(2)12-27(13-23)19(30)11-28-20-15(7-17(10-25-20)29(33)34)8-18(22(28)32)21(31)26-9-14-3-5-16(24)6-4-14;1-22(2,3)33-18(28)12-26-19-14(8-16(11-24-19)27(31)32)9-17(21(26)30)20(29)25-10-13-4-6-15(23)7-5-13;19-12-3-1-10(2-4-12)7-21-17(26)14-6-11-5-13(23(28)29)8-20-16(11)22(18(14)27)9-15(24)25;17-11-3-1-9(2-4-11)7-19-15(22)13-6-10-5-12(21(24)25)8-18-14(10)20-16(13)23;1-16-11(15)6-10(14)13-7-8-2-4-9(12)5-3-8;7-6-4(3-10)1-5(2-8-6)9(11)12;7-6-5(4-9)2-1-3-8-6;1-5(2)3-6-4-5;/h3-8,10H,9,11-13H2,1-2H3,(H,26,31);4-9,11H,10,12H2,1-3H3,(H,25,29);1-6,8H,7,9H2,(H,21,26)(H,24,25);1-6,8H,7H2,(H,19,22)(H,18,20,23);2-5H,6-7H2,1H3,(H,13,14);1-3H,(H2,7,8);1-4H,(H2,7,8);6H,3-4H2,1-2H3;1H
InChIKeyAIXGXLGBNRHESX-UHFFFAOYSA-N
MW2384.85 g/mol
LogP13.79
Rot. Bonds29

About 2-amino-5-nitropyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxamide;3,3-dimethylazetidine;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate;hydrochloride

2-amino-5-nitropyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxamide;3,3-dimethylazetidine;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate;hydrochloride (PubChem CID 161297498) has the molecular formula C107H102Cl6N24O28 and a molecular weight of 2384.85 g/mol. Its IUPAC name is 2-amino-5-nitropyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxamide;3,3-dimethylazetidine;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate;hydrochloride.

Molecular Properties

Compound Name2-amino-5-nitropyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxamide;3,3-dimethylazetidine;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate;hydrochloride
PubChem CID161297498
Molecular FormulaC107H102Cl6N24O28
Molecular Weight2384.85 g/mol
Exact Mass2380.54
IUPAC Name2-amino-5-nitropyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxamide;3,3-dimethylazetidine;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate;hydrochloride
SMILESCC(C)(C)OC(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cc([N+](=O)[O-])cnc21.CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3cc([N+](=O)[O-])cnc32)C1.CC1(C)CNC1.COC(=O)CC(=O)NCc1ccc(Cl)cc1.Cl.Nc1ncc([N+](=O)[O-])cc1C=O.Nc1ncccc1C=O.O=C(NCc1ccc(Cl)cc1)c1cc2cc([N+](=O)[O-])cnc2[nH]c1=O.O=C(O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cc([N+](=O)[O-])cnc21
InChIInChI=1S/C23H22ClN5O5.C22H21ClN4O6.C18H13ClN4O6.C16H11ClN4O4.C11H12ClNO3.C6H5N3O3.C6H6N2O.C5H11N.ClH/c1-23(2)12-27(13-23)19(30)11-28-20-15(7-17(10-25-20)29(33)34)8-18(22(28)32)21(31)26-9-14-3-5-16(24)6-4-14;1-22(2,3)33-18(28)12-26-19-14(8-16(11-24-19)27(31)32)9-17(21(26)30)20(29)25-10-13-4-6-15(23)7-5-13;19-12-3-1-10(2-4-12)7-21-17(26)14-6-11-5-13(23(28)29)8-20-16(11)22(18(14)27)9-15(24)25;17-11-3-1-9(2-4-11)7-19-15(22)13-6-10-5-12(21(24)25)8-18-14(10)20-16(13)23;1-16-11(15)6-10(14)13-7-8-2-4-9(12)5-3-8;7-6-4(3-10)1-5(2-8-6)9(11)12;7-6-5(4-9)2-1-3-8-6;1-5(2)3-6-4-5;/h3-8,10H,9,11-13H2,1-2H3,(H,26,31);4-9,11H,10,12H2,1-3H3,(H,25,29);1-6,8H,7,9H2,(H,21,26)(H,24,25);1-6,8H,7H2,(H,19,22)(H,18,20,23);2-5H,6-7H2,1H3,(H,13,14);1-3H,(H2,7,8);1-4H,(H2,7,8);6H,3-4H2,1-2H3;1H
InChIKeyAIXGXLGBNRHESX-UHFFFAOYSA-N
XLogP13.79
TPSA745.82 Ų
H-Bond Donors10
H-Bond Acceptors39
Rotatable Bonds29
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002384.85
LogP ≤ 513.79
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-5-nitropyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxamide;3,3-dimethylazetidine;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-nitropyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxamide;3,3-dimethylazetidine;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate;hydrochloride?
The IUPAC name of 2-amino-5-nitropyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxamide;3,3-dimethylazetidine;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate;hydrochloride (CID 161297498) is 2-amino-5-nitropyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxamide;3,3-dimethylazetidine;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate;hydrochloride.
What is the SMILES notation for 2-amino-5-nitropyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxamide;3,3-dimethylazetidine;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate;hydrochloride?
The canonical SMILES for 2-amino-5-nitropyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxamide;3,3-dimethylazetidine;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate;hydrochloride is CC(C)(C)OC(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cc([N+](=O)[O-])cnc21.CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3cc([N+](=O)[O-])cnc32)C1.CC1(C)CNC1.COC(=O)CC(=O)NCc1ccc(Cl)cc1.Cl.Nc1ncc([N+](=O)[O-])cc1C=O.Nc1ncccc1C=O.O=C(NCc1ccc(Cl)cc1)c1cc2cc([N+](=O)[O-])cnc2[nH]c1=O.O=C(O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cc([N+](=O)[O-])cnc21.
What is the InChIKey of 2-amino-5-nitropyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxamide;3,3-dimethylazetidine;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate;hydrochloride?
The InChIKey is AIXGXLGBNRHESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O5.C22H21ClN4O6.C18H13ClN4O6.C16H11ClN4O4.C11H12ClNO3.C6H5N3O3.C6H6N2O.C5H11N.ClH/c1-23(2)12-27(13-23)19(30)11-28-20-15(7-17(10-25-20)29(33)34)8-18(22(28)32)21(31)26-9-14-3-5-16(24)6-4-14;1-22(2,3)33-18(28)12-26-19-14(8-16(11-24-19)27(31)32)9-17(21(26)30)20(29)25-10-13-4-6-15(23)7-5-13;19-12-3-1-10(2-4-12)7-21-17(26)14-6-11-5-13(23(28)29)8-20-16(11)22(18(14)27)9-15(24)25;17-11-3-1-9(2-4-11)7-19-15(22)13-6-10-5-12(21(24)25)8-18-14(10)20-16(13)23;1-16-11(15)6-10(14)13-7-8-2-4-9(12)5-3-8;7-6-4(3-10)1-5(2-8-6)9(11)12;7-6-5(4-9)2-1-3-8-6;1-5(2)3-6-4-5;/h3-8,10H,9,11-13H2,1-2H3,(H,26,31);4-9,11H,10,12H2,1-3H3,(H,25,29);1-6,8H,7,9H2,(H,21,26)(H,24,25);1-6,8H,7H2,(H,19,22)(H,18,20,23);2-5H,6-7H2,1H3,(H,13,14);1-3H,(H2,7,8);1-4H,(H2,7,8);6H,3-4H2,1-2H3;1H.
What are the key properties of 2-amino-5-nitropyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxamide;3,3-dimethylazetidine;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate;hydrochloride?
2-amino-5-nitropyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxamide;3,3-dimethylazetidine;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate;hydrochloride has a molecular weight of 2384.85 g/mol, XLogP of 13.79, 29 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-nitropyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxamide;3,3-dimethylazetidine;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate;hydrochloride is sourced from PubChem (CID 161297498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).