dimethyl 2-methyl-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)propanedioate

C14H18N2O4 — CID 155738960

IUPACdimethyl 2-methyl-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)propanedioate
SMILESCOC(=O)C(C)(C(=O)OC)c1ccc2c(n1)CCCN2
InChIInChI=1S/C14H18N2O4/c1-14(12(17)19-2,13(18)20-3)11-7-6-9-10(16-11)5-4-8-15-9/h6-7,15H,4-5,8H2,1-3H3
InChIKeyYTFXGHASKAHVPA-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.04
Rot. Bonds3

About dimethyl 2-methyl-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)propanedioate

dimethyl 2-methyl-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)propanedioate (PubChem CID 155738960) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is dimethyl 2-methyl-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)propanedioate.

Molecular Properties

Compound Namedimethyl 2-methyl-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)propanedioate
PubChem CID155738960
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namedimethyl 2-methyl-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)propanedioate
SMILESCOC(=O)C(C)(C(=O)OC)c1ccc2c(n1)CCCN2
InChIInChI=1S/C14H18N2O4/c1-14(12(17)19-2,13(18)20-3)11-7-6-9-10(16-11)5-4-8-15-9/h6-7,15H,4-5,8H2,1-3H3
InChIKeyYTFXGHASKAHVPA-UHFFFAOYSA-N
XLogP1.04
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5,6,7,8-tetrahydro-1,5-naphthyridine-2-carbohydrazide
CID 135388640
6-pyridazin-4-yl-1,2,3,4-tetrahydro-1,5-naphthyridine
CID 135388024
5,6,7,8-tetrahydro-1,5-naphthyridin-2-amine
CID 130119178
6-pyridazin-3-yl-1,2,3,4-tetrahydro-1,5-naphthyridine
CID 142484556
methyl 3,3,3-trifluoro-2-hydroxy-2-(1,2,3,4-tetrahydroquinolin-6-yl)propanoate
CID 2999213
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)butoxy]but-2-enoate
CID 175199883
2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]hexanoic acid
CID 175194563
5-methyl-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)-1,3-thiazole
CID 135388420
6-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydro-1,5-naphthyridine;propane
CID 142484426
1,2,3,4-tetrahydro-1,5-naphthyridine
CID 6917495
methyl 2,2,3-trimethyl-3-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoate
CID 133350088
methyl 4-[(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)sulfamoyl]benzoate
CID 90625648

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-methyl-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)propanedioate?
The IUPAC name of dimethyl 2-methyl-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)propanedioate (CID 155738960) is dimethyl 2-methyl-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)propanedioate.
What is the SMILES notation for dimethyl 2-methyl-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)propanedioate?
The canonical SMILES for dimethyl 2-methyl-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)propanedioate is COC(=O)C(C)(C(=O)OC)c1ccc2c(n1)CCCN2.
What is the InChIKey of dimethyl 2-methyl-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)propanedioate?
The InChIKey is YTFXGHASKAHVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-14(12(17)19-2,13(18)20-3)11-7-6-9-10(16-11)5-4-8-15-9/h6-7,15H,4-5,8H2,1-3H3.
What are the key properties of dimethyl 2-methyl-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)propanedioate?
dimethyl 2-methyl-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)propanedioate has a molecular weight of 278.31 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-methyl-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)propanedioate is sourced from PubChem (CID 155738960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).