N-(3-methylbutyl)-2-(5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridin-6-yl)acetamide

C15H23N3O2 — CID 90655130

IUPACN-(3-methylbutyl)-2-(5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridin-6-yl)acetamide
SMILESCC(C)CCNC(=O)Cn1ccc2c(c1=O)CCCN2
InChIInChI=1S/C15H23N3O2/c1-11(2)5-8-17-14(19)10-18-9-6-13-12(15(18)20)4-3-7-16-13/h6,9,11,16H,3-5,7-8,10H2,1-2H3,(H,17,19)
InChIKeyGNZCMORHWCDFNJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.37
Rot. Bonds5

About N-(3-methylbutyl)-2-(5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridin-6-yl)acetamide

N-(3-methylbutyl)-2-(5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridin-6-yl)acetamide (PubChem CID 90655130) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridin-6-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridin-6-yl)acetamide
PubChem CID90655130
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(3-methylbutyl)-2-(5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridin-6-yl)acetamide
SMILESCC(C)CCNC(=O)Cn1ccc2c(c1=O)CCCN2
InChIInChI=1S/C15H23N3O2/c1-11(2)5-8-17-14(19)10-18-9-6-13-12(15(18)20)4-3-7-16-13/h6,9,11,16H,3-5,7-8,10H2,1-2H3,(H,17,19)
InChIKeyGNZCMORHWCDFNJ-UHFFFAOYSA-N
XLogP1.37
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridin-6-yl)acetamide?
The IUPAC name of N-(3-methylbutyl)-2-(5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridin-6-yl)acetamide (CID 90655130) is N-(3-methylbutyl)-2-(5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridin-6-yl)acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridin-6-yl)acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridin-6-yl)acetamide is CC(C)CCNC(=O)Cn1ccc2c(c1=O)CCCN2.
What is the InChIKey of N-(3-methylbutyl)-2-(5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridin-6-yl)acetamide?
The InChIKey is GNZCMORHWCDFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(2)5-8-17-14(19)10-18-9-6-13-12(15(18)20)4-3-7-16-13/h6,9,11,16H,3-5,7-8,10H2,1-2H3,(H,17,19).
What are the key properties of N-(3-methylbutyl)-2-(5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridin-6-yl)acetamide?
N-(3-methylbutyl)-2-(5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridin-6-yl)acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridin-6-yl)acetamide is sourced from PubChem (CID 90655130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).