tert-butyl 3-(5-methoxy-2-oxo-3,4-dihydro-1H-1,6-naphthyridin-7-yl)pyrrolidine-1-carboxylate

C18H25N3O4 — CID 169149165

IUPACtert-butyl 3-(5-methoxy-2-oxo-3,4-dihydro-1H-1,6-naphthyridin-7-yl)pyrrolidine-1-carboxylate
SMILESCOc1nc(C2CCN(C(=O)OC(C)(C)C)C2)cc2c1CCC(=O)N2
InChIInChI=1S/C18H25N3O4/c1-18(2,3)25-17(23)21-8-7-11(10-21)13-9-14-12(16(20-13)24-4)5-6-15(22)19-14/h9,11H,5-8,10H2,1-4H3,(H,19,22)
InChIKeyVLTYAOJXIBDJBR-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.70
Rot. Bonds2

About tert-butyl 3-(5-methoxy-2-oxo-3,4-dihydro-1H-1,6-naphthyridin-7-yl)pyrrolidine-1-carboxylate

tert-butyl 3-(5-methoxy-2-oxo-3,4-dihydro-1H-1,6-naphthyridin-7-yl)pyrrolidine-1-carboxylate (PubChem CID 169149165) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is tert-butyl 3-(5-methoxy-2-oxo-3,4-dihydro-1H-1,6-naphthyridin-7-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5-methoxy-2-oxo-3,4-dihydro-1H-1,6-naphthyridin-7-yl)pyrrolidine-1-carboxylate
PubChem CID169149165
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Nametert-butyl 3-(5-methoxy-2-oxo-3,4-dihydro-1H-1,6-naphthyridin-7-yl)pyrrolidine-1-carboxylate
SMILESCOc1nc(C2CCN(C(=O)OC(C)(C)C)C2)cc2c1CCC(=O)N2
InChIInChI=1S/C18H25N3O4/c1-18(2,3)25-17(23)21-8-7-11(10-21)13-9-14-12(16(20-13)24-4)5-6-15(22)19-14/h9,11H,5-8,10H2,1-4H3,(H,19,22)
InChIKeyVLTYAOJXIBDJBR-UHFFFAOYSA-N
XLogP2.70
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-(5-amino-6-methoxy-2-pyridinyl)piperidine-1-carboxylate
CID 170118913
tert-butyl 3-(6-amino-2-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate
CID 138571293
tert-butyl (3S)-3-(2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxylate
CID 137137137
tert-butyl 3-(2,6-dimethyl-4-pyridinyl)pyrrolidine-1-carboxylate
CID 135135114
6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyridine-3-carboxylic acid
CID 115052964
tert-butyl 3-[6-amino-2-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]pyrrolidine-1-carboxylate
CID 170726146
tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate
CID 86336206
tert-butyl 3-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-1-carboxylate
CID 86664785
tert-butyl 3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine-1-carboxylate
CID 169498563
tert-butyl 3-(1-methylpyrazol-3-yl)pyrrolidine-1-carboxylate
CID 148649807
tert-butyl (3R)-3-(6-chloro-2-methylpyrimidin-4-yl)piperidine-1-carboxylate
CID 95970009
tert-butyl 3-[6-methyl-4-(trifluoromethylsulfonyloxy)-2-pyridinyl]pyrrolidine-1-carboxylate
CID 121271041

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-methoxy-2-oxo-3,4-dihydro-1H-1,6-naphthyridin-7-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(5-methoxy-2-oxo-3,4-dihydro-1H-1,6-naphthyridin-7-yl)pyrrolidine-1-carboxylate (CID 169149165) is tert-butyl 3-(5-methoxy-2-oxo-3,4-dihydro-1H-1,6-naphthyridin-7-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(5-methoxy-2-oxo-3,4-dihydro-1H-1,6-naphthyridin-7-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(5-methoxy-2-oxo-3,4-dihydro-1H-1,6-naphthyridin-7-yl)pyrrolidine-1-carboxylate is COc1nc(C2CCN(C(=O)OC(C)(C)C)C2)cc2c1CCC(=O)N2.
What is the InChIKey of tert-butyl 3-(5-methoxy-2-oxo-3,4-dihydro-1H-1,6-naphthyridin-7-yl)pyrrolidine-1-carboxylate?
The InChIKey is VLTYAOJXIBDJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-18(2,3)25-17(23)21-8-7-11(10-21)13-9-14-12(16(20-13)24-4)5-6-15(22)19-14/h9,11H,5-8,10H2,1-4H3,(H,19,22).
What are the key properties of tert-butyl 3-(5-methoxy-2-oxo-3,4-dihydro-1H-1,6-naphthyridin-7-yl)pyrrolidine-1-carboxylate?
tert-butyl 3-(5-methoxy-2-oxo-3,4-dihydro-1H-1,6-naphthyridin-7-yl)pyrrolidine-1-carboxylate has a molecular weight of 347.42 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-methoxy-2-oxo-3,4-dihydro-1H-1,6-naphthyridin-7-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 169149165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).