ethyl 2-amino-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate

C12H17N3O2 — CID 54595310

IUPACethyl 2-amino-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(nc1N)CCN(C)C2
InChIInChI=1S/C12H17N3O2/c1-3-17-12(16)9-6-8-7-15(2)5-4-10(8)14-11(9)13/h6H,3-5,7H2,1-2H3,(H2,13,14)
InChIKeyLJFWISFXVYDNAL-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.83
Rot. Bonds2

About ethyl 2-amino-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate

ethyl 2-amino-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate (PubChem CID 54595310) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is ethyl 2-amino-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate
PubChem CID54595310
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Nameethyl 2-amino-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(nc1N)CCN(C)C2
InChIInChI=1S/C12H17N3O2/c1-3-17-12(16)9-6-8-7-15(2)5-4-10(8)14-11(9)13/h6H,3-5,7H2,1-2H3,(H2,13,14)
InChIKeyLJFWISFXVYDNAL-UHFFFAOYSA-N
XLogP0.83
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-tert-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate
CID 116533769
2-ethyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 116532966
6-methyl-2-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 116533203
(2-amino-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 83571186
2-carbamoyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 117274635
ethyl 1,6-dimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxylate
CID 58117012
ethyl 4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxylate
CID 6472680
2-amino-6-(2-methoxyacetyl)-N-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 92620838
ethyl 6,6-dioxo-2-propan-2-yl-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carboxylate
CID 116533353
tert-butyl 8-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylate;2,8-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine;ethane
CID 142811171
ethyl 2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylate
CID 116533140
3-(bromomethyl)-2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine
CID 82452342

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 2-amino-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate (CID 54595310) is ethyl 2-amino-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 2-amino-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate is CCOC(=O)c1cc2c(nc1N)CCN(C)C2.
What is the InChIKey of ethyl 2-amino-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate?
The InChIKey is LJFWISFXVYDNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-17-12(16)9-6-8-7-15(2)5-4-10(8)14-11(9)13/h6H,3-5,7H2,1-2H3,(H2,13,14).
What are the key properties of ethyl 2-amino-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate?
ethyl 2-amino-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate has a molecular weight of 235.29 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 54595310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).