7-[3-(butylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

C19H20N6O4S — CID 142434889

IUPAC7-[3-(butylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCCCCNC(=O)C1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4ncns4)c3n2)C1
InChIInChI=1S/C19H20N6O4S/c1-2-3-6-20-17(27)11-7-24(8-11)14-5-4-12-15(26)13(18(28)29)9-25(16(12)23-14)19-21-10-22-30-19/h4-5,9-11H,2-3,6-8H2,1H3,(H,20,27)(H,28,29)
InChIKeyBOLQHLOPVATUFV-UHFFFAOYSA-N
MW428.47 g/mol
LogP1.29
Rot. Bonds7

About 7-[3-(butylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

7-[3-(butylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142434889) has the molecular formula C19H20N6O4S and a molecular weight of 428.47 g/mol. Its IUPAC name is 7-[3-(butylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[3-(butylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID142434889
Molecular FormulaC19H20N6O4S
Molecular Weight428.47 g/mol
Exact Mass428.13
IUPAC Name7-[3-(butylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCCCCNC(=O)C1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4ncns4)c3n2)C1
InChIInChI=1S/C19H20N6O4S/c1-2-3-6-20-17(27)11-7-24(8-11)14-5-4-12-15(26)13(18(28)29)9-25(16(12)23-14)19-21-10-22-30-19/h4-5,9-11H,2-3,6-8H2,1H3,(H,20,27)(H,28,29)
InChIKeyBOLQHLOPVATUFV-UHFFFAOYSA-N
XLogP1.29
TPSA130.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-[3-(butylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[3-[(5-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435467
7-[3-(5-methoxypentanoyl)azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 159145421
6-fluoro-7-[3-(3-methylbutylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435217
7-[3-[2-(4-methoxy-6-methylpyrimidin-2-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 162030653
7-[3-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 175473857
7-[3-[(5-ethoxy-2-pyridinyl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142434912
7-chloro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435114
7-[3-(3-ethoxy-3-oxopropanoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142434729
1-(5-fluoro-1,3-thiazol-2-yl)-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 142434648
5-methyl-7-[3-[(5-methyl-1H-pyrrol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 169098438
1-(5-fluoro-1,3-thiazol-2-yl)-7-[3-[(5-methoxy-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 142434589
7-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435616

Frequently Asked Questions

What is the IUPAC name of 7-[3-(butylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-[3-(butylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142434889) is 7-[3-(butylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-[3-(butylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-[3-(butylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is CCCCNC(=O)C1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4ncns4)c3n2)C1.
What is the InChIKey of 7-[3-(butylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is BOLQHLOPVATUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O4S/c1-2-3-6-20-17(27)11-7-24(8-11)14-5-4-12-15(26)13(18(28)29)9-25(16(12)23-14)19-21-10-22-30-19/h4-5,9-11H,2-3,6-8H2,1H3,(H,20,27)(H,28,29).
What are the key properties of 7-[3-(butylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
7-[3-(butylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 428.47 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(butylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142434889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).