2-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide

C22H20FN3O3 — CID 109086465

IUPAC2-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccnc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C22H20FN3O3/c1-14-7-8-20(29-2)18(11-14)26-21(27)15-9-10-24-19(12-15)22(28)25-13-16-5-3-4-6-17(16)23/h3-12H,13H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyJVQPRKSLCYWLQI-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.72
Rot. Bonds6

About 2-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide

2-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109086465) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is 2-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
PubChem CID109086465
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Name2-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccnc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C22H20FN3O3/c1-14-7-8-20(29-2)18(11-14)26-21(27)15-9-10-24-19(12-15)22(28)25-13-16-5-3-4-6-17(16)23/h3-12H,13H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyJVQPRKSLCYWLQI-UHFFFAOYSA-N
XLogP3.72
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109047212
4-N-(2,4-dimethylphenyl)-2-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086851
4-N-(2-methoxy-5-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087816
4-N-(2-ethoxyphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086463
2-N-[(2-fluorophenyl)methyl]-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109086433
4-N-[(4-fluorophenyl)methyl]-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109086540
4-N-(2-methoxy-5-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide
CID 109089696
1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970798
2-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109086448
N-[(2-fluorophenyl)methyl]-2-(2-methoxy-5-methylanilino)pyrimidine-5-carboxamide
CID 109256961
N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109213989
4-N-(2,5-dimethoxyphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092655

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide (CID 109086465) is 2-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide is COc1ccc(C)cc1NC(=O)c1ccnc(C(=O)NCc2ccccc2F)c1.
What is the InChIKey of 2-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is JVQPRKSLCYWLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-14-7-8-20(29-2)18(11-14)26-21(27)15-9-10-24-19(12-15)22(28)25-13-16-5-3-4-6-17(16)23/h3-12H,13H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 2-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide?
2-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 393.42 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109086465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).