N-(3,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide

C21H19FN2O4 — CID 8697384

IUPACN-(3,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3F)c2)cc1OC
InChIInChI=1S/C21H19FN2O4/c1-27-18-9-8-16(11-19(18)28-2)23-21(26)15-7-10-20(25)24(13-15)12-14-5-3-4-6-17(14)22/h3-11,13H,12H2,1-2H3,(H,23,26)
InChIKeyQGKDPUFNXPXBGV-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.31
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide

N-(3,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide (PubChem CID 8697384) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
PubChem CID8697384
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC NameN-(3,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3F)c2)cc1OC
InChIInChI=1S/C21H19FN2O4/c1-27-18-9-8-16(11-19(18)28-2)23-21(26)15-7-10-20(25)24(13-15)12-14-5-3-4-6-17(14)22/h3-11,13H,12H2,1-2H3,(H,23,26)
InChIKeyQGKDPUFNXPXBGV-UHFFFAOYSA-N
XLogP3.31
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide (CID 8697384) is N-(3,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide is COc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3F)c2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is QGKDPUFNXPXBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4/c1-27-18-9-8-16(11-19(18)28-2)23-21(26)15-7-10-20(25)24(13-15)12-14-5-3-4-6-17(14)22/h3-11,13H,12H2,1-2H3,(H,23,26).
What are the key properties of N-(3,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide has a molecular weight of 382.39 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 8697384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).