tert-butyl 6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

C19H23N3O2 — CID 123578886

IUPACtert-butyl 6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCc1cncc(-c2cnc3c(c2)CCCN3C(=O)OC(C)(C)C)c1
InChIInChI=1S/C19H23N3O2/c1-13-8-15(11-20-10-13)16-9-14-6-5-7-22(17(14)21-12-16)18(23)24-19(2,3)4/h8-12H,5-7H2,1-4H3
InChIKeyQUJUUCAZAOPPJS-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.14
Rot. Bonds1

About tert-butyl 6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

tert-butyl 6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (PubChem CID 123578886) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is tert-butyl 6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
PubChem CID123578886
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Nametert-butyl 6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCc1cncc(-c2cnc3c(c2)CCCN3C(=O)OC(C)(C)C)c1
InChIInChI=1S/C19H23N3O2/c1-13-8-15(11-20-10-13)16-9-14-6-5-7-22(17(14)21-12-16)18(23)24-19(2,3)4/h8-12H,5-7H2,1-4H3
InChIKeyQUJUUCAZAOPPJS-UHFFFAOYSA-N
XLogP4.14
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 4-(1-(pyridin-2-yl)piperidin-4-yl)piperidine-1-carboxylate
CID 54587812
Methyl 2-pyridin-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3234757
tert-butyl 4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 71454111
US9221802, Ref. Ex. 20
CID 53494446
US9221802, Ref. Ex. 72
CID 53494572
3-[5-[2-(3,4-Difluorophenyl)ethynyl]-2-pyridinyl]-6,6-dimethyl-1,3-oxazinan-2-one
CID 53494573
US9221802, Ref. Ex. 79
CID 53494574
5,6,6-Trimethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazinan-2-one
CID 53494577
6,6-Dimethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-1,3-oxazinan-2-one
CID 53494835
US9221802, Ref. Ex. 81
CID 58464047
3-[5-[2-(5-Fluoro-3-pyridinyl)ethynyl]-2-pyridinyl]-6,6-dimethyl-1,3-oxazinan-2-one
CID 58464059
US9221802, Ref. Ex. 76
CID 58464109

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The IUPAC name of tert-butyl 6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (CID 123578886) is tert-butyl 6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The canonical SMILES for tert-butyl 6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is Cc1cncc(-c2cnc3c(c2)CCCN3C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl 6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The InChIKey is QUJUUCAZAOPPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-8-15(11-20-10-13)16-9-14-6-5-7-22(17(14)21-12-16)18(23)24-19(2,3)4/h8-12H,5-7H2,1-4H3.
What are the key properties of tert-butyl 6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
tert-butyl 6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is sourced from PubChem (CID 123578886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).