2-N-[(2-fluorophenyl)methyl]-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide

C22H20FN3O2 — CID 109086006

IUPAC2-N-[(2-fluorophenyl)methyl]-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
SMILESCC(NC(=O)c1ccnc(C(=O)NCc2ccccc2F)c1)c1ccccc1
InChIInChI=1S/C22H20FN3O2/c1-15(16-7-3-2-4-8-16)26-21(27)17-11-12-24-20(13-17)22(28)25-14-18-9-5-6-10-19(18)23/h2-13,15H,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyWTVHRWSWNYFQFN-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.64
Rot. Bonds6

About 2-N-[(2-fluorophenyl)methyl]-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide

2-N-[(2-fluorophenyl)methyl]-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide (PubChem CID 109086006) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-N-[(2-fluorophenyl)methyl]-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[(2-fluorophenyl)methyl]-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
PubChem CID109086006
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name2-N-[(2-fluorophenyl)methyl]-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
SMILESCC(NC(=O)c1ccnc(C(=O)NCc2ccccc2F)c1)c1ccccc1
InChIInChI=1S/C22H20FN3O2/c1-15(16-7-3-2-4-8-16)26-21(27)17-11-12-24-20(13-17)22(28)25-14-18-9-5-6-10-19(18)23/h2-13,15H,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyWTVHRWSWNYFQFN-UHFFFAOYSA-N
XLogP3.64
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[(2-fluorophenyl)methyl]-5-N-(1-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105337
4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079208
2-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109086448
4-N-[(2-fluorophenyl)methyl]-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109086373
4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 115730036
2-N-[(2-chlorophenyl)methyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086329
4-N-[(4-chlorophenyl)methyl]-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086090
4-N-[2-(dimethylamino)ethyl]-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109083406
4-N-[(2-fluorophenyl)methyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086328
2-N-[3-(dimethylamino)propyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109084012
4-N-[(2-fluorophenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109086345
4-N-cyclopropyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109078430

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-fluorophenyl)methyl]-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-[(2-fluorophenyl)methyl]-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide (CID 109086006) is 2-N-[(2-fluorophenyl)methyl]-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[(2-fluorophenyl)methyl]-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-[(2-fluorophenyl)methyl]-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide is CC(NC(=O)c1ccnc(C(=O)NCc2ccccc2F)c1)c1ccccc1.
What is the InChIKey of 2-N-[(2-fluorophenyl)methyl]-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide?
The InChIKey is WTVHRWSWNYFQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-15(16-7-3-2-4-8-16)26-21(27)17-11-12-24-20(13-17)22(28)25-14-18-9-5-6-10-19(18)23/h2-13,15H,14H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 2-N-[(2-fluorophenyl)methyl]-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide?
2-N-[(2-fluorophenyl)methyl]-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide has a molecular weight of 377.42 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-fluorophenyl)methyl]-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109086006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).