7-[3-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

C23H29N5O4S — CID 146414321

IUPAC7-[3-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCCN(CC1CN(c2cc(C)c3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C1)CC(C)(C)O
InChIInChI=1S/C23H29N5O4S/c1-5-26(13-23(3,4)32)9-15-10-27(11-15)17-8-14(2)18-19(29)16(21(30)31)12-28(20(18)25-17)22-24-6-7-33-22/h6-8,12,15,32H,5,9-11,13H2,1-4H3,(H,30,31)
InChIKeyHIBPYLIFVYNMDS-UHFFFAOYSA-N
MW471.58 g/mol
LogP2.38
Rot. Bonds8

About 7-[3-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

7-[3-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 146414321) has the molecular formula C23H29N5O4S and a molecular weight of 471.58 g/mol. Its IUPAC name is 7-[3-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[3-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID146414321
Molecular FormulaC23H29N5O4S
Molecular Weight471.58 g/mol
Exact Mass471.19
IUPAC Name7-[3-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCCN(CC1CN(c2cc(C)c3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C1)CC(C)(C)O
InChIInChI=1S/C23H29N5O4S/c1-5-26(13-23(3,4)32)9-15-10-27(11-15)17-8-14(2)18-19(29)16(21(30)31)12-28(20(18)25-17)22-24-6-7-33-22/h6-8,12,15,32H,5,9-11,13H2,1-4H3,(H,30,31)
InChIKeyHIBPYLIFVYNMDS-UHFFFAOYSA-N
XLogP2.38
TPSA111.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-[3-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]azetidin-1-yl]-5-methyl-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 7-[3-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-[3-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (CID 146414321) is 7-[3-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-[3-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-[3-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is CCN(CC1CN(c2cc(C)c3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C1)CC(C)(C)O.
What is the InChIKey of 7-[3-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is HIBPYLIFVYNMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4S/c1-5-26(13-23(3,4)32)9-15-10-27(11-15)17-8-14(2)18-19(29)16(21(30)31)12-28(20(18)25-17)22-24-6-7-33-22/h6-8,12,15,32H,5,9-11,13H2,1-4H3,(H,30,31).
What are the key properties of 7-[3-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
7-[3-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 471.58 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 146414321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).