4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid

C19H13FN6O2 — CID 121391413

IUPAC4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid
SMILESCc1ccc(F)c(-c2nc(Nc3ccncc3C(=O)O)c3nccnc3n2)c1
InChIInChI=1S/C19H13FN6O2/c1-10-2-3-13(20)11(8-10)16-25-17-15(22-6-7-23-17)18(26-16)24-14-4-5-21-9-12(14)19(27)28/h2-9H,1H3,(H,27,28)(H,21,23,24,25,26)
InChIKeyBHEVHFLULIPHRY-UHFFFAOYSA-N
MW376.35 g/mol
LogP3.37
Rot. Bonds4

About 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid

4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid (PubChem CID 121391413) has the molecular formula C19H13FN6O2 and a molecular weight of 376.35 g/mol. Its IUPAC name is 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid
PubChem CID121391413
Molecular FormulaC19H13FN6O2
Molecular Weight376.35 g/mol
Exact Mass376.11
IUPAC Name4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid
SMILESCc1ccc(F)c(-c2nc(Nc3ccncc3C(=O)O)c3nccnc3n2)c1
InChIInChI=1S/C19H13FN6O2/c1-10-2-3-13(20)11(8-10)16-25-17-15(22-6-7-23-17)18(26-16)24-14-4-5-21-9-12(14)19(27)28/h2-9H,1H3,(H,27,28)(H,21,23,24,25,26)
InChIKeyBHEVHFLULIPHRY-UHFFFAOYSA-N
XLogP3.37
TPSA113.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid (CID 121391413) is 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid is Cc1ccc(F)c(-c2nc(Nc3ccncc3C(=O)O)c3nccnc3n2)c1.
What is the InChIKey of 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is BHEVHFLULIPHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN6O2/c1-10-2-3-13(20)11(8-10)16-25-17-15(22-6-7-23-17)18(26-16)24-14-4-5-21-9-12(14)19(27)28/h2-9H,1H3,(H,27,28)(H,21,23,24,25,26).
What are the key properties of 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid?
4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 376.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 121391413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).