7-(2,6-dimethyl-4-pyridinyl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

C19H14N4O3S — CID 11280380

IUPAC7-(2,6-dimethyl-4-pyridinyl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cc(-c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)cc(C)n1
InChIInChI=1S/C19H14N4O3S/c1-10-7-12(8-11(2)21-10)15-4-3-13-16(24)14(18(25)26)9-23(17(13)22-15)19-20-5-6-27-19/h3-9H,1-2H3,(H,25,26)
InChIKeyYJINZFVAHKCYIW-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.22
Rot. Bonds3

About 7-(2,6-dimethyl-4-pyridinyl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

7-(2,6-dimethyl-4-pyridinyl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 11280380) has the molecular formula C19H14N4O3S and a molecular weight of 378.41 g/mol. Its IUPAC name is 7-(2,6-dimethyl-4-pyridinyl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-(2,6-dimethyl-4-pyridinyl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID11280380
Molecular FormulaC19H14N4O3S
Molecular Weight378.41 g/mol
Exact Mass378.08
IUPAC Name7-(2,6-dimethyl-4-pyridinyl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cc(-c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)cc(C)n1
InChIInChI=1S/C19H14N4O3S/c1-10-7-12(8-11(2)21-10)15-4-3-13-16(24)14(18(25)26)9-23(17(13)22-15)19-20-5-6-27-19/h3-9H,1-2H3,(H,25,26)
InChIKeyYJINZFVAHKCYIW-UHFFFAOYSA-N
XLogP3.22
TPSA97.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dimethyl-4-pyridinyl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-(2,6-dimethyl-4-pyridinyl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (CID 11280380) is 7-(2,6-dimethyl-4-pyridinyl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-(2,6-dimethyl-4-pyridinyl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-(2,6-dimethyl-4-pyridinyl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1cc(-c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)cc(C)n1.
What is the InChIKey of 7-(2,6-dimethyl-4-pyridinyl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is YJINZFVAHKCYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3S/c1-10-7-12(8-11(2)21-10)15-4-3-13-16(24)14(18(25)26)9-23(17(13)22-15)19-20-5-6-27-19/h3-9H,1-2H3,(H,25,26).
What are the key properties of 7-(2,6-dimethyl-4-pyridinyl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
7-(2,6-dimethyl-4-pyridinyl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 378.41 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dimethyl-4-pyridinyl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 11280380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).