tert-butyl 6-(5-acetyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[5-(2-hydroxy-3-methylbutan-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methyl-2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]butan-2-ol

C70H87BrN12O8 — CID 159516755

IUPACtert-butyl 6-(5-acetyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[5-(2-hydroxy-3-methylbutan-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methyl-2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]butan-2-ol
SMILESCC(=O)c1cncc(-c2cnc3c(c2)CCCN3C(=O)OC(C)(C)C)c1.CC(C)(C)OC(=O)N1CCCc2cc(Br)cnc21.CC(C)C(C)(O)c1cncc(-c2cnc3c(c2)CCCN3)c1.CC(C)C(C)(O)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C20H23N3O3.C19H24N4O2.C18H23N3O.C13H17BrN2O2/c1-13(24)15-9-16(11-21-10-15)17-8-14-6-5-7-23(18(14)22-12-17)19(25)26-20(2,3)4;1-12(2)19(3,25)16-8-15(9-21-11-16)14-7-13-5-4-6-23(18(20)24)17(13)22-10-14;1-12(2)18(3,22)16-8-15(9-19-11-16)14-7-13-5-4-6-20-17(13)21-10-14;1-13(2,3)18-12(17)16-6-4-5-9-7-10(14)8-15-11(9)16/h8-12H,5-7H2,1-4H3;7-12,25H,4-6H2,1-3H3,(H2,20,24);7-12,22H,4-6H2,1-3H3,(H,20,21);7-8H,4-6H2,1-3H3
InChIKeyMBHHTVNIEPAVJX-UHFFFAOYSA-N
MW1304.45 g/mol
LogP13.77
Rot. Bonds8

About tert-butyl 6-(5-acetyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[5-(2-hydroxy-3-methylbutan-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methyl-2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]butan-2-ol

tert-butyl 6-(5-acetyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[5-(2-hydroxy-3-methylbutan-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methyl-2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]butan-2-ol (PubChem CID 159516755) has the molecular formula C70H87BrN12O8 and a molecular weight of 1304.45 g/mol. Its IUPAC name is tert-butyl 6-(5-acetyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[5-(2-hydroxy-3-methylbutan-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methyl-2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]butan-2-ol.

Molecular Properties

Compound Nametert-butyl 6-(5-acetyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[5-(2-hydroxy-3-methylbutan-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methyl-2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]butan-2-ol
PubChem CID159516755
Molecular FormulaC70H87BrN12O8
Molecular Weight1304.45 g/mol
Exact Mass1302.60
IUPAC Nametert-butyl 6-(5-acetyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[5-(2-hydroxy-3-methylbutan-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methyl-2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]butan-2-ol
SMILESCC(=O)c1cncc(-c2cnc3c(c2)CCCN3C(=O)OC(C)(C)C)c1.CC(C)(C)OC(=O)N1CCCc2cc(Br)cnc21.CC(C)C(C)(O)c1cncc(-c2cnc3c(c2)CCCN3)c1.CC(C)C(C)(O)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C20H23N3O3.C19H24N4O2.C18H23N3O.C13H17BrN2O2/c1-13(24)15-9-16(11-21-10-15)17-8-14-6-5-7-23(18(14)22-12-17)19(25)26-20(2,3)4;1-12(2)19(3,25)16-8-15(9-21-11-16)14-7-13-5-4-6-23(18(20)24)17(13)22-10-14;1-12(2)18(3,22)16-8-15(9-19-11-16)14-7-13-5-4-6-20-17(13)21-10-14;1-13(2,3)18-12(17)16-6-4-5-9-7-10(14)8-15-11(9)16/h8-12H,5-7H2,1-4H3;7-12,25H,4-6H2,1-3H3,(H2,20,24);7-12,22H,4-6H2,1-3H3,(H,20,21);7-8H,4-6H2,1-3H3
InChIKeyMBHHTVNIEPAVJX-UHFFFAOYSA-N
XLogP13.77
TPSA265.20 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001304.45
LogP ≤ 513.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze tert-butyl 6-(5-acetyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[5-(2-hydroxy-3-methylbutan-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methyl-2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]butan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(5-acetyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[5-(2-hydroxy-3-methylbutan-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methyl-2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]butan-2-ol?
The IUPAC name of tert-butyl 6-(5-acetyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[5-(2-hydroxy-3-methylbutan-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methyl-2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]butan-2-ol (CID 159516755) is tert-butyl 6-(5-acetyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[5-(2-hydroxy-3-methylbutan-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methyl-2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]butan-2-ol.
What is the SMILES notation for tert-butyl 6-(5-acetyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[5-(2-hydroxy-3-methylbutan-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methyl-2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]butan-2-ol?
The canonical SMILES for tert-butyl 6-(5-acetyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[5-(2-hydroxy-3-methylbutan-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methyl-2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]butan-2-ol is CC(=O)c1cncc(-c2cnc3c(c2)CCCN3C(=O)OC(C)(C)C)c1.CC(C)(C)OC(=O)N1CCCc2cc(Br)cnc21.CC(C)C(C)(O)c1cncc(-c2cnc3c(c2)CCCN3)c1.CC(C)C(C)(O)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.
What is the InChIKey of tert-butyl 6-(5-acetyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[5-(2-hydroxy-3-methylbutan-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methyl-2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]butan-2-ol?
The InChIKey is MBHHTVNIEPAVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3.C19H24N4O2.C18H23N3O.C13H17BrN2O2/c1-13(24)15-9-16(11-21-10-15)17-8-14-6-5-7-23(18(14)22-12-17)19(25)26-20(2,3)4;1-12(2)19(3,25)16-8-15(9-21-11-16)14-7-13-5-4-6-23(18(20)24)17(13)22-10-14;1-12(2)18(3,22)16-8-15(9-19-11-16)14-7-13-5-4-6-20-17(13)21-10-14;1-13(2,3)18-12(17)16-6-4-5-9-7-10(14)8-15-11(9)16/h8-12H,5-7H2,1-4H3;7-12,25H,4-6H2,1-3H3,(H2,20,24);7-12,22H,4-6H2,1-3H3,(H,20,21);7-8H,4-6H2,1-3H3.
What are the key properties of tert-butyl 6-(5-acetyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[5-(2-hydroxy-3-methylbutan-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methyl-2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]butan-2-ol?
tert-butyl 6-(5-acetyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[5-(2-hydroxy-3-methylbutan-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methyl-2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]butan-2-ol has a molecular weight of 1304.45 g/mol, XLogP of 13.77, 8 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(5-acetyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[5-(2-hydroxy-3-methylbutan-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methyl-2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]butan-2-ol is sourced from PubChem (CID 159516755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).