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

C21H17F2N3O2 — CID 109086328

IUPAC4-N-[(2-fluorophenyl)methyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
SMILESO=C(NCc1ccccc1F)c1ccnc(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C21H17F2N3O2/c22-17-7-5-14(6-8-17)12-25-21(28)19-11-15(9-10-24-19)20(27)26-13-16-3-1-2-4-18(16)23/h1-11H,12-13H2,(H,25,28)(H,26,27)
InChIKeyZMVNMLLDDDUAGB-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.22
Rot. Bonds6

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

4-N-[(2-fluorophenyl)methyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide (PubChem CID 109086328) has the molecular formula C21H17F2N3O2 and a molecular weight of 381.38 g/mol. Its IUPAC name is 4-N-[(2-fluorophenyl)methyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(2-fluorophenyl)methyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
PubChem CID109086328
Molecular FormulaC21H17F2N3O2
Molecular Weight381.38 g/mol
Exact Mass381.13
IUPAC Name4-N-[(2-fluorophenyl)methyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
SMILESO=C(NCc1ccccc1F)c1ccnc(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C21H17F2N3O2/c22-17-7-5-14(6-8-17)12-25-21(28)19-11-15(9-10-24-19)20(27)26-13-16-3-1-2-4-18(16)23/h1-11H,12-13H2,(H,25,28)(H,26,27)
InChIKeyZMVNMLLDDDUAGB-UHFFFAOYSA-N
XLogP3.22
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085281
4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086488
2-N-[(2-chlorophenyl)methyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086329
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086566
4-N-[(2-fluorophenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109086345
4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079208
4-N-[2-(dimethylamino)ethyl]-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109083406
2-N-[(2-fluorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085013
2-N-butyl-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079398
2-N-[3-(dimethylamino)propyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109084012
4-N-cyclopropyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109078430
2-[2-(2-fluorophenyl)ethylamino]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 109170555

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-fluorophenyl)methyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[(2-fluorophenyl)methyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide (CID 109086328) is 4-N-[(2-fluorophenyl)methyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[(2-fluorophenyl)methyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[(2-fluorophenyl)methyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide is O=C(NCc1ccccc1F)c1ccnc(C(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of 4-N-[(2-fluorophenyl)methyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
The InChIKey is ZMVNMLLDDDUAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O2/c22-17-7-5-14(6-8-17)12-25-21(28)19-11-15(9-10-24-19)20(27)26-13-16-3-1-2-4-18(16)23/h1-11H,12-13H2,(H,25,28)(H,26,27).
What are the key properties of 4-N-[(2-fluorophenyl)methyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
4-N-[(2-fluorophenyl)methyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide has a molecular weight of 381.38 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-fluorophenyl)methyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109086328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).