5-methyl-7-(3-methylpyrrolidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

C17H17N5O3S — CID 146345433

IUPAC5-methyl-7-(3-methylpyrrolidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cc(N2CCC(C)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1
InChIInChI=1S/C17H17N5O3S/c1-9-3-4-21(6-9)12-5-10(2)13-14(23)11(16(24)25)7-22(15(13)20-12)17-18-8-19-26-17/h5,7-9H,3-4,6H2,1-2H3,(H,24,25)
InChIKeyMPBLWQFFCYEIOU-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.09
Rot. Bonds3

About 5-methyl-7-(3-methylpyrrolidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

5-methyl-7-(3-methylpyrrolidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 146345433) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is 5-methyl-7-(3-methylpyrrolidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-7-(3-methylpyrrolidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID146345433
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name5-methyl-7-(3-methylpyrrolidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cc(N2CCC(C)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1
InChIInChI=1S/C17H17N5O3S/c1-9-3-4-21(6-9)12-5-10(2)13-14(23)11(16(24)25)7-22(15(13)20-12)17-18-8-19-26-17/h5,7-9H,3-4,6H2,1-2H3,(H,24,25)
InChIKeyMPBLWQFFCYEIOU-UHFFFAOYSA-N
XLogP2.09
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

7-[3-(cyclopropanecarbonyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435603
5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-7-[3-(2,2,2-trifluoro-1-hydroxyethyl)azetidin-1-yl]-1,8-naphthyridine-3-carboxylic acid
CID 142434817
7-[3-(2-cyclohexylacetyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 161388635
7-[3-(4-carboxypyrazol-1-yl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435018
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
5-methyl-7-[3-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435345
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
7-[3-(1,2-dihydropyridine-6-carbonyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 146345420
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
7-[3-[(1,5-dimethylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435438
5-methyl-7-[3-[2-(oxan-3-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 161031295
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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(3-methylpyrrolidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 5-methyl-7-(3-methylpyrrolidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 146345433) is 5-methyl-7-(3-methylpyrrolidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-7-(3-methylpyrrolidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 5-methyl-7-(3-methylpyrrolidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1cc(N2CCC(C)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1.
What is the InChIKey of 5-methyl-7-(3-methylpyrrolidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is MPBLWQFFCYEIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-9-3-4-21(6-9)12-5-10(2)13-14(23)11(16(24)25)7-22(15(13)20-12)17-18-8-19-26-17/h5,7-9H,3-4,6H2,1-2H3,(H,24,25).
What are the key properties of 5-methyl-7-(3-methylpyrrolidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
5-methyl-7-(3-methylpyrrolidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 371.42 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(3-methylpyrrolidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 146345433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).