4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid

C13H15N3O3 — CID 20524655

IUPAC4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCC(C)Cn1c(=O)c(C(=O)O)c(N)c2cccnc21
InChIInChI=1S/C13H15N3O3/c1-7(2)6-16-11-8(4-3-5-15-11)10(14)9(12(16)17)13(18)19/h3-5,7H,6,14H2,1-2H3,(H,18,19)
InChIKeyAHWYJHRZSMUORQ-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.33
Rot. Bonds3

About 4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid

4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 20524655) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID20524655
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCC(C)Cn1c(=O)c(C(=O)O)c(N)c2cccnc21
InChIInChI=1S/C13H15N3O3/c1-7(2)6-16-11-8(4-3-5-15-11)10(14)9(12(16)17)13(18)19/h3-5,7H,6,14H2,1-2H3,(H,18,19)
InChIKeyAHWYJHRZSMUORQ-UHFFFAOYSA-N
XLogP1.33
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid (CID 20524655) is 4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid is CC(C)Cn1c(=O)c(C(=O)O)c(N)c2cccnc21.
What is the InChIKey of 4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is AHWYJHRZSMUORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-7(2)6-16-11-8(4-3-5-15-11)10(14)9(12(16)17)13(18)19/h3-5,7H,6,14H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid?
4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 20524655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).