6-acetamido-5,7-dimethyl-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid

C13H13N3O4 — CID 21496115

IUPAC6-acetamido-5,7-dimethyl-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid
SMILESCC(=O)Nc1c(C)nc2[nH]c(=O)c(C(=O)O)cc2c1C
InChIInChI=1S/C13H13N3O4/c1-5-8-4-9(13(19)20)12(18)16-11(8)14-6(2)10(5)15-7(3)17/h4H,1-3H3,(H,15,17)(H,19,20)(H,14,16,18)
InChIKeyCJDLVABRKOGTAU-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.20
Rot. Bonds2

About 6-acetamido-5,7-dimethyl-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid

6-acetamido-5,7-dimethyl-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid (PubChem CID 21496115) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 6-acetamido-5,7-dimethyl-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-acetamido-5,7-dimethyl-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid
PubChem CID21496115
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name6-acetamido-5,7-dimethyl-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid
SMILESCC(=O)Nc1c(C)nc2[nH]c(=O)c(C(=O)O)cc2c1C
InChIInChI=1S/C13H13N3O4/c1-5-8-4-9(13(19)20)12(18)16-11(8)14-6(2)10(5)15-7(3)17/h4H,1-3H3,(H,15,17)(H,19,20)(H,14,16,18)
InChIKeyCJDLVABRKOGTAU-UHFFFAOYSA-N
XLogP1.20
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-acetamido-5,7-dimethyl-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-acetamido-5,7-dimethyl-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid (CID 21496115) is 6-acetamido-5,7-dimethyl-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-acetamido-5,7-dimethyl-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-acetamido-5,7-dimethyl-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid is CC(=O)Nc1c(C)nc2[nH]c(=O)c(C(=O)O)cc2c1C.
What is the InChIKey of 6-acetamido-5,7-dimethyl-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is CJDLVABRKOGTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-5-8-4-9(13(19)20)12(18)16-11(8)14-6(2)10(5)15-7(3)17/h4H,1-3H3,(H,15,17)(H,19,20)(H,14,16,18).
What are the key properties of 6-acetamido-5,7-dimethyl-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
6-acetamido-5,7-dimethyl-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-5,7-dimethyl-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 21496115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).