3-fluoro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-[methyl(methylsulfonyl)amino]pyridine-4-carboxylic acid

C16H24FN3O5S — CID 59028286

IUPAC3-fluoro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-[methyl(methylsulfonyl)amino]pyridine-4-carboxylic acid
SMILESCOCCN(CC1CC1C)c1cc(C(=O)O)c(F)c(N(C)S(C)(=O)=O)n1
InChIInChI=1S/C16H24FN3O5S/c1-10-7-11(10)9-20(5-6-25-3)13-8-12(16(21)22)14(17)15(18-13)19(2)26(4,23)24/h8,10-11H,5-7,9H2,1-4H3,(H,21,22)
InChIKeyFWLNUNGIFITDSL-UHFFFAOYSA-N
MW389.45 g/mol
LogP1.42
Rot. Bonds9

About 3-fluoro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-[methyl(methylsulfonyl)amino]pyridine-4-carboxylic acid

3-fluoro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-[methyl(methylsulfonyl)amino]pyridine-4-carboxylic acid (PubChem CID 59028286) has the molecular formula C16H24FN3O5S and a molecular weight of 389.45 g/mol. Its IUPAC name is 3-fluoro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-[methyl(methylsulfonyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-[methyl(methylsulfonyl)amino]pyridine-4-carboxylic acid
PubChem CID59028286
Molecular FormulaC16H24FN3O5S
Molecular Weight389.45 g/mol
Exact Mass389.14
IUPAC Name3-fluoro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-[methyl(methylsulfonyl)amino]pyridine-4-carboxylic acid
SMILESCOCCN(CC1CC1C)c1cc(C(=O)O)c(F)c(N(C)S(C)(=O)=O)n1
InChIInChI=1S/C16H24FN3O5S/c1-10-7-11(10)9-20(5-6-25-3)13-8-12(16(21)22)14(17)15(18-13)19(2)26(4,23)24/h8,10-11H,5-7,9H2,1-4H3,(H,21,22)
InChIKeyFWLNUNGIFITDSL-UHFFFAOYSA-N
XLogP1.42
TPSA100.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-[methyl(methylsulfonyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-[methyl(methylsulfonyl)amino]pyridine-4-carboxylic acid (CID 59028286) is 3-fluoro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-[methyl(methylsulfonyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-[methyl(methylsulfonyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-[methyl(methylsulfonyl)amino]pyridine-4-carboxylic acid is COCCN(CC1CC1C)c1cc(C(=O)O)c(F)c(N(C)S(C)(=O)=O)n1.
What is the InChIKey of 3-fluoro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-[methyl(methylsulfonyl)amino]pyridine-4-carboxylic acid?
The InChIKey is FWLNUNGIFITDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O5S/c1-10-7-11(10)9-20(5-6-25-3)13-8-12(16(21)22)14(17)15(18-13)19(2)26(4,23)24/h8,10-11H,5-7,9H2,1-4H3,(H,21,22).
What are the key properties of 3-fluoro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-[methyl(methylsulfonyl)amino]pyridine-4-carboxylic acid?
3-fluoro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-[methyl(methylsulfonyl)amino]pyridine-4-carboxylic acid has a molecular weight of 389.45 g/mol, XLogP of 1.42, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-[methyl(methylsulfonyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 59028286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).