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

C20H16ClFN2O2 — CID 58020262

IUPAC5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxamide
SMILESCOc1ccc(Cc2ccc(C(N)=O)nc2)c(F)c1-c1cccc(Cl)c1
InChIInChI=1S/C20H16ClFN2O2/c1-26-17-8-6-14(9-12-5-7-16(20(23)25)24-11-12)19(22)18(17)13-3-2-4-15(21)10-13/h2-8,10-11H,9H2,1H3,(H2,23,25)
InChIKeyAWPMBQOHDCXPPV-UHFFFAOYSA-N
MW370.81 g/mol
LogP4.24
Rot. Bonds5

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

5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxamide (PubChem CID 58020262) has the molecular formula C20H16ClFN2O2 and a molecular weight of 370.81 g/mol. Its IUPAC name is 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxamide
PubChem CID58020262
Molecular FormulaC20H16ClFN2O2
Molecular Weight370.81 g/mol
Exact Mass370.09
IUPAC Name5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxamide
SMILESCOc1ccc(Cc2ccc(C(N)=O)nc2)c(F)c1-c1cccc(Cl)c1
InChIInChI=1S/C20H16ClFN2O2/c1-26-17-8-6-14(9-12-5-7-16(20(23)25)24-11-12)19(22)18(17)13-3-2-4-15(21)10-13/h2-8,10-11H,9H2,1H3,(H2,23,25)
InChIKeyAWPMBQOHDCXPPV-UHFFFAOYSA-N
XLogP4.24
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.81
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxamide (CID 58020262) is 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxamide is COc1ccc(Cc2ccc(C(N)=O)nc2)c(F)c1-c1cccc(Cl)c1.
What is the InChIKey of 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxamide?
The InChIKey is AWPMBQOHDCXPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O2/c1-26-17-8-6-14(9-12-5-7-16(20(23)25)24-11-12)19(22)18(17)13-3-2-4-15(21)10-13/h2-8,10-11H,9H2,1H3,(H2,23,25).
What are the key properties of 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxamide?
5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxamide has a molecular weight of 370.81 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 58020262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).