N-(3-methylbutyl)-3-(5-oxo-1,6-naphthyridin-6-yl)propanamide

C16H21N3O2 — CID 90645053

IUPACN-(3-methylbutyl)-3-(5-oxo-1,6-naphthyridin-6-yl)propanamide
SMILESCC(C)CCNC(=O)CCn1ccc2ncccc2c1=O
InChIInChI=1S/C16H21N3O2/c1-12(2)5-9-18-15(20)7-11-19-10-6-14-13(16(19)21)4-3-8-17-14/h3-4,6,8,10,12H,5,7,9,11H2,1-2H3,(H,18,20)
InChIKeyFPZBXXXRJQVZJJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.95
Rot. Bonds6

About N-(3-methylbutyl)-3-(5-oxo-1,6-naphthyridin-6-yl)propanamide

N-(3-methylbutyl)-3-(5-oxo-1,6-naphthyridin-6-yl)propanamide (PubChem CID 90645053) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-(5-oxo-1,6-naphthyridin-6-yl)propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-(5-oxo-1,6-naphthyridin-6-yl)propanamide
PubChem CID90645053
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(3-methylbutyl)-3-(5-oxo-1,6-naphthyridin-6-yl)propanamide
SMILESCC(C)CCNC(=O)CCn1ccc2ncccc2c1=O
InChIInChI=1S/C16H21N3O2/c1-12(2)5-9-18-15(20)7-11-19-10-6-14-13(16(19)21)4-3-8-17-14/h3-4,6,8,10,12H,5,7,9,11H2,1-2H3,(H,18,20)
InChIKeyFPZBXXXRJQVZJJ-UHFFFAOYSA-N
XLogP1.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-(5-oxo-1,6-naphthyridin-6-yl)propanamide?
The IUPAC name of N-(3-methylbutyl)-3-(5-oxo-1,6-naphthyridin-6-yl)propanamide (CID 90645053) is N-(3-methylbutyl)-3-(5-oxo-1,6-naphthyridin-6-yl)propanamide.
What is the SMILES notation for N-(3-methylbutyl)-3-(5-oxo-1,6-naphthyridin-6-yl)propanamide?
The canonical SMILES for N-(3-methylbutyl)-3-(5-oxo-1,6-naphthyridin-6-yl)propanamide is CC(C)CCNC(=O)CCn1ccc2ncccc2c1=O.
What is the InChIKey of N-(3-methylbutyl)-3-(5-oxo-1,6-naphthyridin-6-yl)propanamide?
The InChIKey is FPZBXXXRJQVZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12(2)5-9-18-15(20)7-11-19-10-6-14-13(16(19)21)4-3-8-17-14/h3-4,6,8,10,12H,5,7,9,11H2,1-2H3,(H,18,20).
What are the key properties of N-(3-methylbutyl)-3-(5-oxo-1,6-naphthyridin-6-yl)propanamide?
N-(3-methylbutyl)-3-(5-oxo-1,6-naphthyridin-6-yl)propanamide has a molecular weight of 287.36 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-(5-oxo-1,6-naphthyridin-6-yl)propanamide is sourced from PubChem (CID 90645053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).