2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetic acid;5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[5-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetate

C100H93BrCl4N20O15 — CID 157452535

IUPAC2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetic acid;5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[5-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetate
SMILESCC(C)(C)OC(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2c(N)c(-c3ccncc3)cnc21.CC(C)(C)OC(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2c(N)c(Br)cnc21.CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(N)c(-c4ccncc4)cnc32)C1.Nc1c(-c2ccncc2)cnc2c1cc(C(=O)NCc1ccc(Cl)cc1)c(=O)n2CC(=O)O
InChIInChI=1S/C28H27ClN6O3.C27H26ClN5O4.C23H18ClN5O4.C22H22BrClN4O4/c1-28(2)15-34(16-28)23(36)14-35-25-20(24(30)22(13-32-25)18-7-9-31-10-8-18)11-21(27(35)38)26(37)33-12-17-3-5-19(29)6-4-17;1-27(2,3)37-22(34)15-33-24-19(23(29)21(14-31-24)17-8-10-30-11-9-17)12-20(26(33)36)25(35)32-13-16-4-6-18(28)7-5-16;24-15-3-1-13(2-4-15)10-28-22(32)17-9-16-20(25)18(14-5-7-26-8-6-14)11-27-21(16)29(23(17)33)12-19(30)31;1-22(2,3)32-17(29)11-28-19-14(18(25)16(23)10-26-19)8-15(21(28)31)20(30)27-9-12-4-6-13(24)7-5-12/h3-11,13H,12,14-16H2,1-2H3,(H2,30,32)(H,33,37);4-12,14H,13,15H2,1-3H3,(H2,29,31)(H,32,35);1-9,11H,10,12H2,(H2,25,27)(H,28,32)(H,30,31);4-8,10H,9,11H2,1-3H3,(H2,25,26)(H,27,30)
InChIKeyBSYVGUOXFNGVLP-UHFFFAOYSA-N
MW2036.68 g/mol
LogP13.83
Rot. Bonds23

About 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetic acid;5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[5-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetate

2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetic acid;5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[5-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetate (PubChem CID 157452535) has the molecular formula C100H93BrCl4N20O15 and a molecular weight of 2036.68 g/mol. Its IUPAC name is 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetic acid;5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[5-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetate.

Molecular Properties

Compound Name2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetic acid;5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[5-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetate
PubChem CID157452535
Molecular FormulaC100H93BrCl4N20O15
Molecular Weight2036.68 g/mol
Exact Mass2032.51
IUPAC Name2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetic acid;5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[5-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetate
SMILESCC(C)(C)OC(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2c(N)c(-c3ccncc3)cnc21.CC(C)(C)OC(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2c(N)c(Br)cnc21.CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(N)c(-c4ccncc4)cnc32)C1.Nc1c(-c2ccncc2)cnc2c1cc(C(=O)NCc1ccc(Cl)cc1)c(=O)n2CC(=O)O
InChIInChI=1S/C28H27ClN6O3.C27H26ClN5O4.C23H18ClN5O4.C22H22BrClN4O4/c1-28(2)15-34(16-28)23(36)14-35-25-20(24(30)22(13-32-25)18-7-9-31-10-8-18)11-21(27(35)38)26(37)33-12-17-3-5-19(29)6-4-17;1-27(2,3)37-22(34)15-33-24-19(23(29)21(14-31-24)17-8-10-30-11-9-17)12-20(26(33)36)25(35)32-13-16-4-6-18(28)7-5-16;24-15-3-1-13(2-4-15)10-28-22(32)17-9-16-20(25)18(14-5-7-26-8-6-14)11-27-21(16)29(23(17)33)12-19(30)31;1-22(2,3)32-17(29)11-28-19-14(18(25)16(23)10-26-19)8-15(21(28)31)20(30)27-9-12-4-6-13(24)7-5-12/h3-11,13H,12,14-16H2,1-2H3,(H2,30,32)(H,33,37);4-12,14H,13,15H2,1-3H3,(H2,29,31)(H,32,35);1-9,11H,10,12H2,(H2,25,27)(H,28,32)(H,30,31);4-8,10H,9,11H2,1-3H3,(H2,25,26)(H,27,30)
InChIKeyBSYVGUOXFNGVLP-UHFFFAOYSA-N
XLogP13.83
TPSA508.92 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds23
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002036.68
LogP ≤ 513.83
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Analyze 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetic acid;5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[5-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetic acid;5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[5-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetate?
The IUPAC name of 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetic acid;5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[5-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetate (CID 157452535) is 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetic acid;5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[5-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetate.
What is the SMILES notation for 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetic acid;5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[5-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetate?
The canonical SMILES for 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetic acid;5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[5-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetate is CC(C)(C)OC(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2c(N)c(-c3ccncc3)cnc21.CC(C)(C)OC(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2c(N)c(Br)cnc21.CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(N)c(-c4ccncc4)cnc32)C1.Nc1c(-c2ccncc2)cnc2c1cc(C(=O)NCc1ccc(Cl)cc1)c(=O)n2CC(=O)O.
What is the InChIKey of 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetic acid;5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[5-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetate?
The InChIKey is BSYVGUOXFNGVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN6O3.C27H26ClN5O4.C23H18ClN5O4.C22H22BrClN4O4/c1-28(2)15-34(16-28)23(36)14-35-25-20(24(30)22(13-32-25)18-7-9-31-10-8-18)11-21(27(35)38)26(37)33-12-17-3-5-19(29)6-4-17;1-27(2,3)37-22(34)15-33-24-19(23(29)21(14-31-24)17-8-10-30-11-9-17)12-20(26(33)36)25(35)32-13-16-4-6-18(28)7-5-16;24-15-3-1-13(2-4-15)10-28-22(32)17-9-16-20(25)18(14-5-7-26-8-6-14)11-27-21(16)29(23(17)33)12-19(30)31;1-22(2,3)32-17(29)11-28-19-14(18(25)16(23)10-26-19)8-15(21(28)31)20(30)27-9-12-4-6-13(24)7-5-12/h3-11,13H,12,14-16H2,1-2H3,(H2,30,32)(H,33,37);4-12,14H,13,15H2,1-3H3,(H2,29,31)(H,32,35);1-9,11H,10,12H2,(H2,25,27)(H,28,32)(H,30,31);4-8,10H,9,11H2,1-3H3,(H2,25,26)(H,27,30).
What are the key properties of 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetic acid;5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[5-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetate?
2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetic acid;5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[5-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetate has a molecular weight of 2036.68 g/mol, XLogP of 13.83, 23 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetic acid;5-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridine-3-carboxamide;tert-butyl 2-[5-amino-6-bromo-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-6-pyridin-4-yl-1,8-naphthyridin-1-yl]acetate is sourced from PubChem (CID 157452535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).