5-methyl-7-[3-[(6-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

C23H20N6O4S — CID 142434694

IUPAC5-methyl-7-[3-[(6-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cccc(NC(=O)C2CN(c3cc(C)c4c(=O)c(C(=O)O)cn(-c5nccs5)c4n3)C2)n1
InChIInChI=1S/C23H20N6O4S/c1-12-8-17(28-9-14(10-28)21(31)26-16-5-3-4-13(2)25-16)27-20-18(12)19(30)15(22(32)33)11-29(20)23-24-6-7-34-23/h3-8,11,14H,9-10H2,1-2H3,(H,32,33)(H,25,26,31)
InChIKeyYZTRMQQPUWNCKK-UHFFFAOYSA-N
MW476.52 g/mol
LogP2.63
Rot. Bonds5

About 5-methyl-7-[3-[(6-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

5-methyl-7-[3-[(6-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142434694) has the molecular formula C23H20N6O4S and a molecular weight of 476.52 g/mol. Its IUPAC name is 5-methyl-7-[3-[(6-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-7-[3-[(6-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID142434694
Molecular FormulaC23H20N6O4S
Molecular Weight476.52 g/mol
Exact Mass476.13
IUPAC Name5-methyl-7-[3-[(6-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cccc(NC(=O)C2CN(c3cc(C)c4c(=O)c(C(=O)O)cn(-c5nccs5)c4n3)C2)n1
InChIInChI=1S/C23H20N6O4S/c1-12-8-17(28-9-14(10-28)21(31)26-16-5-3-4-13(2)25-16)27-20-18(12)19(30)15(22(32)33)11-29(20)23-24-6-7-34-23/h3-8,11,14H,9-10H2,1-2H3,(H,32,33)(H,25,26,31)
InChIKeyYZTRMQQPUWNCKK-UHFFFAOYSA-N
XLogP2.63
TPSA130.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.52
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-methyl-7-[3-[(6-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[3-[(6-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 5-methyl-7-[3-[(6-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142434694) is 5-methyl-7-[3-[(6-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-7-[3-[(6-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 5-methyl-7-[3-[(6-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1cccc(NC(=O)C2CN(c3cc(C)c4c(=O)c(C(=O)O)cn(-c5nccs5)c4n3)C2)n1.
What is the InChIKey of 5-methyl-7-[3-[(6-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is YZTRMQQPUWNCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O4S/c1-12-8-17(28-9-14(10-28)21(31)26-16-5-3-4-13(2)25-16)27-20-18(12)19(30)15(22(32)33)11-29(20)23-24-6-7-34-23/h3-8,11,14H,9-10H2,1-2H3,(H,32,33)(H,25,26,31).
What are the key properties of 5-methyl-7-[3-[(6-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
5-methyl-7-[3-[(6-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 476.52 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[3-[(6-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142434694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).