N-(4-butoxyphenyl)-2-(5,7-dimethyl-2-oxo-1,8-naphthyridin-1-yl)acetamide

C22H25N3O3 — CID 647627

IUPACN-(4-butoxyphenyl)-2-(5,7-dimethyl-2-oxo-1,8-naphthyridin-1-yl)acetamide
SMILESCCCCOc1ccc(NC(=O)Cn2c(=O)ccc3c(C)cc(C)nc32)cc1
InChIInChI=1S/C22H25N3O3/c1-4-5-12-28-18-8-6-17(7-9-18)24-20(26)14-25-21(27)11-10-19-15(2)13-16(3)23-22(19)25/h6-11,13H,4-5,12,14H2,1-3H3,(H,24,26)
InChIKeyWCTCSTCZKIUUEC-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.83
Rot. Bonds7

About N-(4-butoxyphenyl)-2-(5,7-dimethyl-2-oxo-1,8-naphthyridin-1-yl)acetamide

N-(4-butoxyphenyl)-2-(5,7-dimethyl-2-oxo-1,8-naphthyridin-1-yl)acetamide (PubChem CID 647627) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-2-(5,7-dimethyl-2-oxo-1,8-naphthyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-2-(5,7-dimethyl-2-oxo-1,8-naphthyridin-1-yl)acetamide
PubChem CID647627
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-(4-butoxyphenyl)-2-(5,7-dimethyl-2-oxo-1,8-naphthyridin-1-yl)acetamide
SMILESCCCCOc1ccc(NC(=O)Cn2c(=O)ccc3c(C)cc(C)nc32)cc1
InChIInChI=1S/C22H25N3O3/c1-4-5-12-28-18-8-6-17(7-9-18)24-20(26)14-25-21(27)11-10-19-15(2)13-16(3)23-22(19)25/h6-11,13H,4-5,12,14H2,1-3H3,(H,24,26)
InChIKeyWCTCSTCZKIUUEC-UHFFFAOYSA-N
XLogP3.83
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-2-(5,7-dimethyl-2-oxo-1,8-naphthyridin-1-yl)acetamide?
The IUPAC name of N-(4-butoxyphenyl)-2-(5,7-dimethyl-2-oxo-1,8-naphthyridin-1-yl)acetamide (CID 647627) is N-(4-butoxyphenyl)-2-(5,7-dimethyl-2-oxo-1,8-naphthyridin-1-yl)acetamide.
What is the SMILES notation for N-(4-butoxyphenyl)-2-(5,7-dimethyl-2-oxo-1,8-naphthyridin-1-yl)acetamide?
The canonical SMILES for N-(4-butoxyphenyl)-2-(5,7-dimethyl-2-oxo-1,8-naphthyridin-1-yl)acetamide is CCCCOc1ccc(NC(=O)Cn2c(=O)ccc3c(C)cc(C)nc32)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-2-(5,7-dimethyl-2-oxo-1,8-naphthyridin-1-yl)acetamide?
The InChIKey is WCTCSTCZKIUUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-4-5-12-28-18-8-6-17(7-9-18)24-20(26)14-25-21(27)11-10-19-15(2)13-16(3)23-22(19)25/h6-11,13H,4-5,12,14H2,1-3H3,(H,24,26).
What are the key properties of N-(4-butoxyphenyl)-2-(5,7-dimethyl-2-oxo-1,8-naphthyridin-1-yl)acetamide?
N-(4-butoxyphenyl)-2-(5,7-dimethyl-2-oxo-1,8-naphthyridin-1-yl)acetamide has a molecular weight of 379.46 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-2-(5,7-dimethyl-2-oxo-1,8-naphthyridin-1-yl)acetamide is sourced from PubChem (CID 647627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).