5-fluoro-6-(2-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

C17H14F2N4O2 — CID 144595164

IUPAC5-fluoro-6-(2-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3cnn(C)c3)ccc2F)c(F)c1
InChIInChI=1S/C17H14F2N4O2/c1-23-9-10(8-20-23)21-17(24)15-6-5-13(18)16(22-15)12-4-3-11(25-2)7-14(12)19/h3-9H,1-2H3,(H,21,24)
InChIKeyQFEHNXYURDLRRU-UHFFFAOYSA-N
MW344.32 g/mol
LogP3.02
Rot. Bonds4

About 5-fluoro-6-(2-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

5-fluoro-6-(2-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 144595164) has the molecular formula C17H14F2N4O2 and a molecular weight of 344.32 g/mol. Its IUPAC name is 5-fluoro-6-(2-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-6-(2-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID144595164
Molecular FormulaC17H14F2N4O2
Molecular Weight344.32 g/mol
Exact Mass344.11
IUPAC Name5-fluoro-6-(2-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3cnn(C)c3)ccc2F)c(F)c1
InChIInChI=1S/C17H14F2N4O2/c1-23-9-10(8-20-23)21-17(24)15-6-5-13(18)16(22-15)12-4-3-11(25-2)7-14(12)19/h3-9H,1-2H3,(H,21,24)
InChIKeyQFEHNXYURDLRRU-UHFFFAOYSA-N
XLogP3.02
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(2-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of 5-fluoro-6-(2-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (CID 144595164) is 5-fluoro-6-(2-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-6-(2-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-6-(2-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is COc1ccc(-c2nc(C(=O)Nc3cnn(C)c3)ccc2F)c(F)c1.
What is the InChIKey of 5-fluoro-6-(2-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is QFEHNXYURDLRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2/c1-23-9-10(8-20-23)21-17(24)15-6-5-13(18)16(22-15)12-4-3-11(25-2)7-14(12)19/h3-9H,1-2H3,(H,21,24).
What are the key properties of 5-fluoro-6-(2-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
5-fluoro-6-(2-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 344.32 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(2-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 144595164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).