4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide

C21H17ClFN3O2 — CID 109086459

IUPAC4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(=O)NCc3ccccc3F)c2)cc1Cl
InChIInChI=1S/C21H17ClFN3O2/c1-13-6-7-16(11-17(13)22)26-20(27)14-8-9-24-19(10-14)21(28)25-12-15-4-2-3-5-18(15)23/h2-11H,12H2,1H3,(H,25,28)(H,26,27)
InChIKeyLYOTXUCPUWADLF-UHFFFAOYSA-N
MW397.84 g/mol
LogP4.36
Rot. Bonds5

About 4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide

4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide (PubChem CID 109086459) has the molecular formula C21H17ClFN3O2 and a molecular weight of 397.84 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
PubChem CID109086459
Molecular FormulaC21H17ClFN3O2
Molecular Weight397.84 g/mol
Exact Mass397.10
IUPAC Name4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(=O)NCc3ccccc3F)c2)cc1Cl
InChIInChI=1S/C21H17ClFN3O2/c1-13-6-7-16(11-17(13)22)26-20(27)14-8-9-24-19(10-14)21(28)25-12-15-4-2-3-5-18(15)23/h2-11H,12H2,1H3,(H,25,28)(H,26,27)
InChIKeyLYOTXUCPUWADLF-UHFFFAOYSA-N
XLogP4.36
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.84
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(2-fluorophenyl)methyl]-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109086433
4-N-(3-chloro-4-methylphenyl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086609
2-N-[(2-chlorophenyl)methyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086329
4-N-[(2-fluorophenyl)methyl]-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109086373
4-N-(1,3-benzodioxol-5-yl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086470
6-(3-chloro-4-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348203
2-N-(3-chloro-4-methylphenyl)-4-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091288
4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079208
N-(3-chloro-4-methylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348081
2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086371
2-N-[(2-chlorophenyl)methyl]-4-N-phenylpyridine-2,4-dicarboxamide
CID 109086683
2-N-(3-chloro-4-methylphenyl)-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091966

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide (CID 109086459) is 4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide is Cc1ccc(NC(=O)c2ccnc(C(=O)NCc3ccccc3F)c2)cc1Cl.
What is the InChIKey of 4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
The InChIKey is LYOTXUCPUWADLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O2/c1-13-6-7-16(11-17(13)22)26-20(27)14-8-9-24-19(10-14)21(28)25-12-15-4-2-3-5-18(15)23/h2-11H,12H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide has a molecular weight of 397.84 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109086459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).