5-[[3-(3-cyanophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxamide

C21H16FN3O2 — CID 58020234

IUPAC5-[[3-(3-cyanophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxamide
SMILESCOc1ccc(Cc2ccc(C(N)=O)nc2)c(F)c1-c1cccc(C#N)c1
InChIInChI=1S/C21H16FN3O2/c1-27-18-8-6-16(10-14-5-7-17(21(24)26)25-12-14)20(22)19(18)15-4-2-3-13(9-15)11-23/h2-9,12H,10H2,1H3,(H2,24,26)
InChIKeyRCSOHKCBPLKPIL-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.46
Rot. Bonds5

About 5-[[3-(3-cyanophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxamide

5-[[3-(3-cyanophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxamide (PubChem CID 58020234) has the molecular formula C21H16FN3O2 and a molecular weight of 361.38 g/mol. Its IUPAC name is 5-[[3-(3-cyanophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[3-(3-cyanophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxamide
PubChem CID58020234
Molecular FormulaC21H16FN3O2
Molecular Weight361.38 g/mol
Exact Mass361.12
IUPAC Name5-[[3-(3-cyanophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxamide
SMILESCOc1ccc(Cc2ccc(C(N)=O)nc2)c(F)c1-c1cccc(C#N)c1
InChIInChI=1S/C21H16FN3O2/c1-27-18-8-6-16(10-14-5-7-17(21(24)26)25-12-14)20(22)19(18)15-4-2-3-13(9-15)11-23/h2-9,12H,10H2,1H3,(H2,24,26)
InChIKeyRCSOHKCBPLKPIL-UHFFFAOYSA-N
XLogP3.46
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3-cyanophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 5-[[3-(3-cyanophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxamide (CID 58020234) is 5-[[3-(3-cyanophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[3-(3-cyanophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[[3-(3-cyanophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxamide is COc1ccc(Cc2ccc(C(N)=O)nc2)c(F)c1-c1cccc(C#N)c1.
What is the InChIKey of 5-[[3-(3-cyanophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxamide?
The InChIKey is RCSOHKCBPLKPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2/c1-27-18-8-6-16(10-14-5-7-17(21(24)26)25-12-14)20(22)19(18)15-4-2-3-13(9-15)11-23/h2-9,12H,10H2,1H3,(H2,24,26).
What are the key properties of 5-[[3-(3-cyanophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxamide?
5-[[3-(3-cyanophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxamide has a molecular weight of 361.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3-cyanophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 58020234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).