2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide

C23H22FN3O2 — CID 109086371

IUPAC2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(C(=O)NCc2ccccc2F)ccn1
InChIInChI=1S/C23H22FN3O2/c1-3-16-9-6-7-15(2)21(16)27-23(29)20-13-17(11-12-25-20)22(28)26-14-18-8-4-5-10-19(18)24/h4-13H,3,14H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyFJNBZJXOPZOUDU-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.27
Rot. Bonds6

About 2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide

2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide (PubChem CID 109086371) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
PubChem CID109086371
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(C(=O)NCc2ccccc2F)ccn1
InChIInChI=1S/C23H22FN3O2/c1-3-16-9-6-7-15(2)21(16)27-23(29)20-13-17(11-12-25-20)22(28)26-14-18-8-4-5-10-19(18)24/h4-13H,3,14H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyFJNBZJXOPZOUDU-UHFFFAOYSA-N
XLogP4.27
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2-fluorophenyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085559
4-N-(2-ethyl-6-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085969
4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079208
2-N-[(2-chlorophenyl)methyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086329
4-N-(2-ethyl-6-methylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085207
2-N-[(2-fluorophenyl)methyl]-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109086433
4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086459
4-N-(2,6-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047191
4-N-[(2-fluorophenyl)methyl]-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109086373
4-N-[(2-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
CID 109085587
4-N-(2-cyanophenyl)-2-N-(2-ethyl-6-methylphenyl)pyridine-2,4-dicarboxamide
CID 109092426
4-N-[2-(dimethylamino)ethyl]-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109083406

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide (CID 109086371) is 2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide is CCc1cccc(C)c1NC(=O)c1cc(C(=O)NCc2ccccc2F)ccn1.
What is the InChIKey of 2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
The InChIKey is FJNBZJXOPZOUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-3-16-9-6-7-15(2)21(16)27-23(29)20-13-17(11-12-25-20)22(28)26-14-18-8-4-5-10-19(18)24/h4-13H,3,14H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide has a molecular weight of 391.45 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109086371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).