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

C22H18N6O4S — CID 158651860

IUPAC7-[3-[2-(5-methyl-2-pyridinyl)acetyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1ccc(CC(=O)C2CN(c3ccc4c(=O)c(C(=O)O)cn(-c5ncns5)c4n3)C2)nc1
InChIInChI=1S/C22H18N6O4S/c1-12-2-3-14(23-7-12)6-17(29)13-8-27(9-13)18-5-4-15-19(30)16(21(31)32)10-28(20(15)26-18)22-24-11-25-33-22/h2-5,7,10-11,13H,6,8-9H2,1H3,(H,31,32)
InChIKeyIBQQTOMMVXAZQX-UHFFFAOYSA-N
MW462.49 g/mol
LogP1.89
Rot. Bonds6

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

7-[3-[2-(5-methyl-2-pyridinyl)acetyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 158651860) has the molecular formula C22H18N6O4S and a molecular weight of 462.49 g/mol. Its IUPAC name is 7-[3-[2-(5-methyl-2-pyridinyl)acetyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[3-[2-(5-methyl-2-pyridinyl)acetyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID158651860
Molecular FormulaC22H18N6O4S
Molecular Weight462.49 g/mol
Exact Mass462.11
IUPAC Name7-[3-[2-(5-methyl-2-pyridinyl)acetyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1ccc(CC(=O)C2CN(c3ccc4c(=O)c(C(=O)O)cn(-c5ncns5)c4n3)C2)nc1
InChIInChI=1S/C22H18N6O4S/c1-12-2-3-14(23-7-12)6-17(29)13-8-27(9-13)18-5-4-15-19(30)16(21(31)32)10-28(20(15)26-18)22-24-11-25-33-22/h2-5,7,10-11,13H,6,8-9H2,1H3,(H,31,32)
InChIKeyIBQQTOMMVXAZQX-UHFFFAOYSA-N
XLogP1.89
TPSA131.17 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[2-(5-methyl-2-pyridinyl)acetyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-[3-[2-(5-methyl-2-pyridinyl)acetyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 158651860) is 7-[3-[2-(5-methyl-2-pyridinyl)acetyl]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-[2-(5-methyl-2-pyridinyl)acetyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-[3-[2-(5-methyl-2-pyridinyl)acetyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1ccc(CC(=O)C2CN(c3ccc4c(=O)c(C(=O)O)cn(-c5ncns5)c4n3)C2)nc1.
What is the InChIKey of 7-[3-[2-(5-methyl-2-pyridinyl)acetyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is IBQQTOMMVXAZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O4S/c1-12-2-3-14(23-7-12)6-17(29)13-8-27(9-13)18-5-4-15-19(30)16(21(31)32)10-28(20(15)26-18)22-24-11-25-33-22/h2-5,7,10-11,13H,6,8-9H2,1H3,(H,31,32).
What are the key properties of 7-[3-[2-(5-methyl-2-pyridinyl)acetyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
7-[3-[2-(5-methyl-2-pyridinyl)acetyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 462.49 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[2-(5-methyl-2-pyridinyl)acetyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 158651860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).