7-[3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

C17H17N5O4S — CID 75216113

IUPAC7-[3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCNC1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)CC1O
InChIInChI=1S/C17H17N5O4S/c1-18-11-7-21(8-12(11)23)13-3-2-9-14(24)10(16(25)26)6-22(15(9)20-13)17-19-4-5-27-17/h2-6,11-12,18,23H,7-8H2,1H3,(H,25,26)
InChIKeyNVIZMCCYAUPCAA-UHFFFAOYSA-N
MW387.42 g/mol
LogP0.31
Rot. Bonds4

About 7-[3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

7-[3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 75216113) has the molecular formula C17H17N5O4S and a molecular weight of 387.42 g/mol. Its IUPAC name is 7-[3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID75216113
Molecular FormulaC17H17N5O4S
Molecular Weight387.42 g/mol
Exact Mass387.10
IUPAC Name7-[3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCNC1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)CC1O
InChIInChI=1S/C17H17N5O4S/c1-18-11-7-21(8-12(11)23)13-3-2-9-14(24)10(16(25)26)6-22(15(9)20-13)17-19-4-5-27-17/h2-6,11-12,18,23H,7-8H2,1H3,(H,25,26)
InChIKeyNVIZMCCYAUPCAA-UHFFFAOYSA-N
XLogP0.31
TPSA120.58 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-[3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-[3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (CID 75216113) is 7-[3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-[3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-[3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is CNC1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)CC1O.
What is the InChIKey of 7-[3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is NVIZMCCYAUPCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4S/c1-18-11-7-21(8-12(11)23)13-3-2-9-14(24)10(16(25)26)6-22(15(9)20-13)17-19-4-5-27-17/h2-6,11-12,18,23H,7-8H2,1H3,(H,25,26).
What are the key properties of 7-[3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
7-[3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 387.42 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 75216113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).