methyl 2-[2-(dimethylamino)ethenyl]-6-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-oxo-1,6-naphthyridine-3-carboxylate

C18H20N6O3 — CID 71946643

IUPACmethyl 2-[2-(dimethylamino)ethenyl]-6-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-oxo-1,6-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(=O)n(-n3c(C)nnc3C)ccc2nc1C=CN(C)C
InChIInChI=1S/C18H20N6O3/c1-11-20-21-12(2)24(11)23-9-7-15-13(17(23)25)10-14(18(26)27-5)16(19-15)6-8-22(3)4/h6-10H,1-5H3
InChIKeyVDDICPDRSMKGIT-UHFFFAOYSA-N
MW368.40 g/mol
LogP1.24
Rot. Bonds4

About methyl 2-[2-(dimethylamino)ethenyl]-6-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-oxo-1,6-naphthyridine-3-carboxylate

methyl 2-[2-(dimethylamino)ethenyl]-6-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-oxo-1,6-naphthyridine-3-carboxylate (PubChem CID 71946643) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is methyl 2-[2-(dimethylamino)ethenyl]-6-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-oxo-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(dimethylamino)ethenyl]-6-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-oxo-1,6-naphthyridine-3-carboxylate
PubChem CID71946643
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Namemethyl 2-[2-(dimethylamino)ethenyl]-6-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-oxo-1,6-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(=O)n(-n3c(C)nnc3C)ccc2nc1C=CN(C)C
InChIInChI=1S/C18H20N6O3/c1-11-20-21-12(2)24(11)23-9-7-15-13(17(23)25)10-14(18(26)27-5)16(19-15)6-8-22(3)4/h6-10H,1-5H3
InChIKeyVDDICPDRSMKGIT-UHFFFAOYSA-N
XLogP1.24
TPSA95.14 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(dimethylamino)ethenyl]-6-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-oxo-1,6-naphthyridine-3-carboxylate?
The IUPAC name of methyl 2-[2-(dimethylamino)ethenyl]-6-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-oxo-1,6-naphthyridine-3-carboxylate (CID 71946643) is methyl 2-[2-(dimethylamino)ethenyl]-6-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-oxo-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[2-(dimethylamino)ethenyl]-6-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-oxo-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 2-[2-(dimethylamino)ethenyl]-6-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-oxo-1,6-naphthyridine-3-carboxylate is COC(=O)c1cc2c(=O)n(-n3c(C)nnc3C)ccc2nc1C=CN(C)C.
What is the InChIKey of methyl 2-[2-(dimethylamino)ethenyl]-6-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-oxo-1,6-naphthyridine-3-carboxylate?
The InChIKey is VDDICPDRSMKGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-11-20-21-12(2)24(11)23-9-7-15-13(17(23)25)10-14(18(26)27-5)16(19-15)6-8-22(3)4/h6-10H,1-5H3.
What are the key properties of methyl 2-[2-(dimethylamino)ethenyl]-6-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-oxo-1,6-naphthyridine-3-carboxylate?
methyl 2-[2-(dimethylamino)ethenyl]-6-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-oxo-1,6-naphthyridine-3-carboxylate has a molecular weight of 368.40 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(dimethylamino)ethenyl]-6-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-oxo-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 71946643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).