5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide

C13H17N3O2 — CID 138605758

IUPAC5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide
SMILESCCOc1ncc(C)c2c1CC(C(N)=O)=C(C)N2
InChIInChI=1S/C13H17N3O2/c1-4-18-13-10-5-9(12(14)17)8(3)16-11(10)7(2)6-15-13/h6,16H,4-5H2,1-3H3,(H2,14,17)
InChIKeyBSSFBVKTDUGHHU-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.52
Rot. Bonds3

About 5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide

5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide (PubChem CID 138605758) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide
PubChem CID138605758
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide
SMILESCCOc1ncc(C)c2c1CC(C(N)=O)=C(C)N2
InChIInChI=1S/C13H17N3O2/c1-4-18-13-10-5-9(12(14)17)8(3)16-11(10)7(2)6-15-13/h6,16H,4-5H2,1-3H3,(H2,14,17)
InChIKeyBSSFBVKTDUGHHU-UHFFFAOYSA-N
XLogP1.52
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide?
The IUPAC name of 5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide (CID 138605758) is 5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for 5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide is CCOc1ncc(C)c2c1CC(C(N)=O)=C(C)N2.
What is the InChIKey of 5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide?
The InChIKey is BSSFBVKTDUGHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-4-18-13-10-5-9(12(14)17)8(3)16-11(10)7(2)6-15-13/h6,16H,4-5H2,1-3H3,(H2,14,17).
What are the key properties of 5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide?
5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 138605758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).