methyl 6-cyclopropyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate

C14H14N2O3 — CID 43864520

IUPACmethyl 6-cyclopropyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(=O)n(C3CC3)ccc2nc1C
InChIInChI=1S/C14H14N2O3/c1-8-10(14(18)19-2)7-11-12(15-8)5-6-16(13(11)17)9-3-4-9/h5-7,9H,3-4H2,1-2H3
InChIKeyAEYDUSDJZBUYHV-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.83
Rot. Bonds2

About methyl 6-cyclopropyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate

methyl 6-cyclopropyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate (PubChem CID 43864520) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is methyl 6-cyclopropyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-cyclopropyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
PubChem CID43864520
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Namemethyl 6-cyclopropyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(=O)n(C3CC3)ccc2nc1C
InChIInChI=1S/C14H14N2O3/c1-8-10(14(18)19-2)7-11-12(15-8)5-6-16(13(11)17)9-3-4-9/h5-7,9H,3-4H2,1-2H3
InChIKeyAEYDUSDJZBUYHV-UHFFFAOYSA-N
XLogP1.83
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-cyclopropyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate?
The IUPAC name of methyl 6-cyclopropyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate (CID 43864520) is methyl 6-cyclopropyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 6-cyclopropyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 6-cyclopropyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate is COC(=O)c1cc2c(=O)n(C3CC3)ccc2nc1C.
What is the InChIKey of methyl 6-cyclopropyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate?
The InChIKey is AEYDUSDJZBUYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-8-10(14(18)19-2)7-11-12(15-8)5-6-16(13(11)17)9-3-4-9/h5-7,9H,3-4H2,1-2H3.
What are the key properties of methyl 6-cyclopropyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate?
methyl 6-cyclopropyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-cyclopropyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 43864520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).