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4-bromo-3-[2-(dimethylamino)ethoxy]-N-(1,8-naphthyridin-2-yl)benzamide

C19H19BrN4O2 — CID 177047470

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-bromo-3-[2-(dimethylamino)ethoxy]-N-(1,8-naphthyridin-2-yl)benzamide
SMILESCN(C)CCOc1cc(C(=O)Nc2ccc3cccnc3n2)ccc1Br
InChIInChI=1S/C19H19BrN4O2/c1-24(2)10-11-26-16-12-14(5-7-15(16)20)19(25)23-17-8-6-13-4-3-9-21-18(13)22-17/h3-9,12H,10-11H2,1-2H3,(H,21,22,23,25)
InChIKeyFUQWNBHDHMSWAU-UHFFFAOYSA-N
MW415.29 g/mol
LogP3.59
Rot. Bonds6

About 4-bromo-3-[2-(dimethylamino)ethoxy]-N-(1,8-naphthyridin-2-yl)benzamide

4-bromo-3-[2-(dimethylamino)ethoxy]-N-(1,8-naphthyridin-2-yl)benzamide (PubChem CID 177047470) has the molecular formula C19H19BrN4O2 and a molecular weight of 415.29 g/mol. Its IUPAC name is 4-bromo-3-[2-(dimethylamino)ethoxy]-N-(1,8-naphthyridin-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-[2-(dimethylamino)ethoxy]-N-(1,8-naphthyridin-2-yl)benzamide
PubChem CID177047470
Molecular FormulaC19H19BrN4O2
Molecular Weight415.29 g/mol
Exact Mass414.07
IUPAC Name4-bromo-3-[2-(dimethylamino)ethoxy]-N-(1,8-naphthyridin-2-yl)benzamide
SMILESCN(C)CCOc1cc(C(=O)Nc2ccc3cccnc3n2)ccc1Br
InChIInChI=1S/C19H19BrN4O2/c1-24(2)10-11-26-16-12-14(5-7-15(16)20)19(25)23-17-8-6-13-4-3-9-21-18(13)22-17/h3-9,12H,10-11H2,1-2H3,(H,21,22,23,25)
InChIKeyFUQWNBHDHMSWAU-UHFFFAOYSA-N
XLogP3.59
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[2-(dimethylamino)ethoxy]-N-(1,8-naphthyridin-2-yl)benzamide?
The IUPAC name of 4-bromo-3-[2-(dimethylamino)ethoxy]-N-(1,8-naphthyridin-2-yl)benzamide (CID 177047470) is 4-bromo-3-[2-(dimethylamino)ethoxy]-N-(1,8-naphthyridin-2-yl)benzamide.
What is the SMILES notation for 4-bromo-3-[2-(dimethylamino)ethoxy]-N-(1,8-naphthyridin-2-yl)benzamide?
The canonical SMILES for 4-bromo-3-[2-(dimethylamino)ethoxy]-N-(1,8-naphthyridin-2-yl)benzamide is CN(C)CCOc1cc(C(=O)Nc2ccc3cccnc3n2)ccc1Br.
What is the InChIKey of 4-bromo-3-[2-(dimethylamino)ethoxy]-N-(1,8-naphthyridin-2-yl)benzamide?
The InChIKey is FUQWNBHDHMSWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O2/c1-24(2)10-11-26-16-12-14(5-7-15(16)20)19(25)23-17-8-6-13-4-3-9-21-18(13)22-17/h3-9,12H,10-11H2,1-2H3,(H,21,22,23,25).
What are the key properties of 4-bromo-3-[2-(dimethylamino)ethoxy]-N-(1,8-naphthyridin-2-yl)benzamide?
4-bromo-3-[2-(dimethylamino)ethoxy]-N-(1,8-naphthyridin-2-yl)benzamide has a molecular weight of 415.29 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[2-(dimethylamino)ethoxy]-N-(1,8-naphthyridin-2-yl)benzamide is sourced from PubChem (CID 177047470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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