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

C21H17ClFN3O2 — CID 109086329

IUPAC2-N-[(2-chlorophenyl)methyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
SMILESO=C(NCc1ccccc1F)c1ccnc(C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C21H17ClFN3O2/c22-17-7-3-1-5-15(17)12-26-21(28)19-11-14(9-10-24-19)20(27)25-13-16-6-2-4-8-18(16)23/h1-11H,12-13H2,(H,25,27)(H,26,28)
InChIKeyMJMOWGYKXJJADN-UHFFFAOYSA-N
MW397.84 g/mol
LogP3.73
Rot. Bonds6

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

2-N-[(2-chlorophenyl)methyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide (PubChem CID 109086329) has the molecular formula C21H17ClFN3O2 and a molecular weight of 397.84 g/mol. Its IUPAC name is 2-N-[(2-chlorophenyl)methyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[(2-chlorophenyl)methyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
PubChem CID109086329
Molecular FormulaC21H17ClFN3O2
Molecular Weight397.84 g/mol
Exact Mass397.10
IUPAC Name2-N-[(2-chlorophenyl)methyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
SMILESO=C(NCc1ccccc1F)c1ccnc(C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C21H17ClFN3O2/c22-17-7-3-1-5-15(17)12-26-21(28)19-11-14(9-10-24-19)20(27)25-13-16-6-2-4-8-18(16)23/h1-11H,12-13H2,(H,25,27)(H,26,28)
InChIKeyMJMOWGYKXJJADN-UHFFFAOYSA-N
XLogP3.73
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.84
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[(2-fluorophenyl)methyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086328
4-N-[(2-chlorophenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086644
4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079208
2-N-[(2-chlorophenyl)methyl]-4-N-phenylpyridine-2,4-dicarboxamide
CID 109086683
4-N-[(2-chlorophenyl)methyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082657
2-N-[(2-fluorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085013
4-N-[2-(dimethylamino)ethyl]-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109083406
4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086459
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-[(2-fluorophenyl)methyl]-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109086373
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-chlorophenyl)methyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-[(2-chlorophenyl)methyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide (CID 109086329) is 2-N-[(2-chlorophenyl)methyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[(2-chlorophenyl)methyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-[(2-chlorophenyl)methyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide is O=C(NCc1ccccc1F)c1ccnc(C(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of 2-N-[(2-chlorophenyl)methyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
The InChIKey is MJMOWGYKXJJADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O2/c22-17-7-3-1-5-15(17)12-26-21(28)19-11-14(9-10-24-19)20(27)25-13-16-6-2-4-8-18(16)23/h1-11H,12-13H2,(H,25,27)(H,26,28).
What are the key properties of 2-N-[(2-chlorophenyl)methyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
2-N-[(2-chlorophenyl)methyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide has a molecular weight of 397.84 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-chlorophenyl)methyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109086329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).