2-[(2R,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]acetamide

C13H19N3O2 — CID 68898719

IUPAC2-[(2R,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]acetamide
SMILESCC[C@@H]1C[C@H](CC(N)=O)c2nc(OC)ccc2N1
InChIInChI=1S/C13H19N3O2/c1-3-9-6-8(7-11(14)17)13-10(15-9)4-5-12(16-13)18-2/h4-5,8-9,15H,3,6-7H2,1-2H3,(H2,14,17)/t8-,9-/m1/s1
InChIKeySPBBKYNRILANGY-RKDXNWHRSA-N
MW249.31 g/mol
LogP1.64
Rot. Bonds4

About 2-[(2R,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]acetamide

2-[(2R,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]acetamide (PubChem CID 68898719) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[(2R,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]acetamide.

Molecular Properties

Compound Name2-[(2R,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]acetamide
PubChem CID68898719
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[(2R,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]acetamide
SMILESCC[C@@H]1C[C@H](CC(N)=O)c2nc(OC)ccc2N1
InChIInChI=1S/C13H19N3O2/c1-3-9-6-8(7-11(14)17)13-10(15-9)4-5-12(16-13)18-2/h4-5,8-9,15H,3,6-7H2,1-2H3,(H2,14,17)/t8-,9-/m1/s1
InChIKeySPBBKYNRILANGY-RKDXNWHRSA-N
XLogP1.64
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]acetamide?
The IUPAC name of 2-[(2R,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]acetamide (CID 68898719) is 2-[(2R,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]acetamide.
What is the SMILES notation for 2-[(2R,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]acetamide?
The canonical SMILES for 2-[(2R,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]acetamide is CC[C@@H]1C[C@H](CC(N)=O)c2nc(OC)ccc2N1.
What is the InChIKey of 2-[(2R,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]acetamide?
The InChIKey is SPBBKYNRILANGY-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-9-6-8(7-11(14)17)13-10(15-9)4-5-12(16-13)18-2/h4-5,8-9,15H,3,6-7H2,1-2H3,(H2,14,17)/t8-,9-/m1/s1.
What are the key properties of 2-[(2R,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]acetamide?
2-[(2R,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]acetamide has a molecular weight of 249.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]acetamide is sourced from PubChem (CID 68898719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).