6-(2,4-difluorophenyl)-2-methoxy-N-(2-phenylethyl)pyridine-3-carboxamide

C21H18F2N2O2 — CID 139833035

IUPAC6-(2,4-difluorophenyl)-2-methoxy-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESCOc1nc(-c2ccc(F)cc2F)ccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C21H18F2N2O2/c1-27-21-17(20(26)24-12-11-14-5-3-2-4-6-14)9-10-19(25-21)16-8-7-15(22)13-18(16)23/h2-10,13H,11-12H2,1H3,(H,24,26)
InChIKeyJLLFHAOPYLFQQR-UHFFFAOYSA-N
MW368.38 g/mol
LogP4.01
Rot. Bonds6

About 6-(2,4-difluorophenyl)-2-methoxy-N-(2-phenylethyl)pyridine-3-carboxamide

6-(2,4-difluorophenyl)-2-methoxy-N-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 139833035) has the molecular formula C21H18F2N2O2 and a molecular weight of 368.38 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-2-methoxy-N-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-2-methoxy-N-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID139833035
Molecular FormulaC21H18F2N2O2
Molecular Weight368.38 g/mol
Exact Mass368.13
IUPAC Name6-(2,4-difluorophenyl)-2-methoxy-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESCOc1nc(-c2ccc(F)cc2F)ccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C21H18F2N2O2/c1-27-21-17(20(26)24-12-11-14-5-3-2-4-6-14)9-10-19(25-21)16-8-7-15(22)13-18(16)23/h2-10,13H,11-12H2,1H3,(H,24,26)
InChIKeyJLLFHAOPYLFQQR-UHFFFAOYSA-N
XLogP4.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-2-methoxy-N-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(2,4-difluorophenyl)-2-methoxy-N-(2-phenylethyl)pyridine-3-carboxamide (CID 139833035) is 6-(2,4-difluorophenyl)-2-methoxy-N-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2,4-difluorophenyl)-2-methoxy-N-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(2,4-difluorophenyl)-2-methoxy-N-(2-phenylethyl)pyridine-3-carboxamide is COc1nc(-c2ccc(F)cc2F)ccc1C(=O)NCCc1ccccc1.
What is the InChIKey of 6-(2,4-difluorophenyl)-2-methoxy-N-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is JLLFHAOPYLFQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O2/c1-27-21-17(20(26)24-12-11-14-5-3-2-4-6-14)9-10-19(25-21)16-8-7-15(22)13-18(16)23/h2-10,13H,11-12H2,1H3,(H,24,26).
What are the key properties of 6-(2,4-difluorophenyl)-2-methoxy-N-(2-phenylethyl)pyridine-3-carboxamide?
6-(2,4-difluorophenyl)-2-methoxy-N-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 368.38 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-2-methoxy-N-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 139833035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).