tert-butyl 3-(methoxymethylcarbamoyl)-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate

C16H23N3O4 — CID 170992073

IUPACtert-butyl 3-(methoxymethylcarbamoyl)-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
SMILESCOCNC(=O)c1cnc2c(c1)CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C16H23N3O4/c1-16(2,3)23-15(21)19-6-5-11-7-12(8-17-13(11)9-19)14(20)18-10-22-4/h7-8H,5-6,9-10H2,1-4H3,(H,18,20)
InChIKeyIZDSRISIYCQHLF-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.71
Rot. Bonds3

About tert-butyl 3-(methoxymethylcarbamoyl)-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate

tert-butyl 3-(methoxymethylcarbamoyl)-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate (PubChem CID 170992073) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is tert-butyl 3-(methoxymethylcarbamoyl)-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(methoxymethylcarbamoyl)-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
PubChem CID170992073
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Nametert-butyl 3-(methoxymethylcarbamoyl)-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
SMILESCOCNC(=O)c1cnc2c(c1)CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C16H23N3O4/c1-16(2,3)23-15(21)19-6-5-11-7-12(8-17-13(11)9-19)14(20)18-10-22-4/h7-8H,5-6,9-10H2,1-4H3,(H,18,20)
InChIKeyIZDSRISIYCQHLF-UHFFFAOYSA-N
XLogP1.71
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

7-O-tert-butyl 3-O-methyl 6,8-dihydro-5H-1,7-naphthyridine-3,7-dicarboxylate
CID 53446461
6-O-tert-butyl 3-O-methyl 5,7-dihydropyrrolo[3,4-b]pyridine-3,6-dicarboxylate
CID 71433196
tert-butyl 3-ethyl-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;carbon dioxide
CID 160686710
tert-butyl 4-(2-methoxyethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 142599664
tert-butyl 3-oxo-2,5,6,8-tetrahydropyrido[3,4-c]pyridazine-7-carboxylate
CID 71711052
7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxylic acid
CID 83920680
N-hydroxy-7-[2-(methylamino)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 87147895
2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 11357887
tert-butyl 6-chloro-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 83844719
N-hydroxy-7-(3-methoxypropyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 169125152
tert-butyl 3,4-dihydro-1H-pyrido[3,4-b][1,7]naphthyridine-2-carboxylate
CID 146330523
tert-butyl 2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 124518676

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(methoxymethylcarbamoyl)-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate?
The IUPAC name of tert-butyl 3-(methoxymethylcarbamoyl)-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate (CID 170992073) is tert-butyl 3-(methoxymethylcarbamoyl)-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate.
What is the SMILES notation for tert-butyl 3-(methoxymethylcarbamoyl)-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate?
The canonical SMILES for tert-butyl 3-(methoxymethylcarbamoyl)-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate is COCNC(=O)c1cnc2c(c1)CCN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 3-(methoxymethylcarbamoyl)-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate?
The InChIKey is IZDSRISIYCQHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-16(2,3)23-15(21)19-6-5-11-7-12(8-17-13(11)9-19)14(20)18-10-22-4/h7-8H,5-6,9-10H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl 3-(methoxymethylcarbamoyl)-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate?
tert-butyl 3-(methoxymethylcarbamoyl)-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(methoxymethylcarbamoyl)-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate is sourced from PubChem (CID 170992073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).