2-[(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylacetamide

C20H25N3O2 — CID 97463788

IUPAC2-[(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COCc1cncc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C20H25N3O2/c1-22(2)20(24)15-25-14-18-11-21-10-17-13-23(9-8-19(17)18)12-16-6-4-3-5-7-16/h3-7,10-11H,8-9,12-15H2,1-2H3
InChIKeyAFCIFZOLHNTBRC-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.24
Rot. Bonds6

About 2-[(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylacetamide

2-[(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylacetamide (PubChem CID 97463788) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylacetamide
PubChem CID97463788
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-[(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COCc1cncc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C20H25N3O2/c1-22(2)20(24)15-25-14-18-11-21-10-17-13-23(9-8-19(17)18)12-16-6-4-3-5-7-16/h3-7,10-11H,8-9,12-15H2,1-2H3
InChIKeyAFCIFZOLHNTBRC-UHFFFAOYSA-N
XLogP2.24
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylacetamide (CID 97463788) is 2-[(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylacetamide is CN(C)C(=O)COCc1cncc2c1CCN(Cc1ccccc1)C2.
What is the InChIKey of 2-[(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylacetamide?
The InChIKey is AFCIFZOLHNTBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-22(2)20(24)15-25-14-18-11-21-10-17-13-23(9-8-19(17)18)12-16-6-4-3-5-7-16/h3-7,10-11H,8-9,12-15H2,1-2H3.
What are the key properties of 2-[(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylacetamide?
2-[(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylacetamide has a molecular weight of 339.44 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 97463788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).