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

C22H20FN3O3 — CID 109086540

IUPAC4-N-[(4-fluorophenyl)methyl]-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(C(=O)NCc2ccc(F)cc2)ccn1
InChIInChI=1S/C22H20FN3O3/c1-14-3-8-20(29-2)18(11-14)26-22(28)19-12-16(9-10-24-19)21(27)25-13-15-4-6-17(23)7-5-15/h3-12H,13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyJWNMBBOXSOJQTN-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.72
Rot. Bonds6

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

4-N-[(4-fluorophenyl)methyl]-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109086540) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is 4-N-[(4-fluorophenyl)methyl]-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(4-fluorophenyl)methyl]-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
PubChem CID109086540
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Name4-N-[(4-fluorophenyl)methyl]-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(C(=O)NCc2ccc(F)cc2)ccn1
InChIInChI=1S/C22H20FN3O3/c1-14-3-8-20(29-2)18(11-14)26-22(28)19-12-16(9-10-24-19)21(27)25-13-15-4-6-17(23)7-5-15/h3-12H,13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyJWNMBBOXSOJQTN-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

2-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109086465
2-N-(2,4-difluorophenyl)-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086914
4-N-tert-butyl-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109089176
N-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212313
2-N-(2-ethoxyphenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085904
4-N-(2,5-dimethylphenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085961
4-N-(2-methoxy-5-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087816
4-N-(4-chlorophenyl)-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109092862
4-N-(2-methoxy-5-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide
CID 109089696
4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092735
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085281
1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109046739

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-fluorophenyl)methyl]-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[(4-fluorophenyl)methyl]-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide (CID 109086540) is 4-N-[(4-fluorophenyl)methyl]-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[(4-fluorophenyl)methyl]-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[(4-fluorophenyl)methyl]-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide is COc1ccc(C)cc1NC(=O)c1cc(C(=O)NCc2ccc(F)cc2)ccn1.
What is the InChIKey of 4-N-[(4-fluorophenyl)methyl]-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is JWNMBBOXSOJQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-14-3-8-20(29-2)18(11-14)26-22(28)19-12-16(9-10-24-19)21(27)25-13-15-4-6-17(23)7-5-15/h3-12H,13H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 4-N-[(4-fluorophenyl)methyl]-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide?
4-N-[(4-fluorophenyl)methyl]-2-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 4-N-[(4-fluorophenyl)methyl]-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109086540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).