4-N-(2-methoxy-5-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide

C23H23N3O3 — CID 109087816

IUPAC4-N-(2-methoxy-5-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccnc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C23H23N3O3/c1-16-8-9-21(29-2)19(14-16)26-22(27)18-11-13-24-20(15-18)23(28)25-12-10-17-6-4-3-5-7-17/h3-9,11,13-15H,10,12H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyWPCPQGQBKBQBNW-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.62
Rot. Bonds7

About 4-N-(2-methoxy-5-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide

4-N-(2-methoxy-5-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide (PubChem CID 109087816) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-N-(2-methoxy-5-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-methoxy-5-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
PubChem CID109087816
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name4-N-(2-methoxy-5-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccnc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C23H23N3O3/c1-16-8-9-21(29-2)19(14-16)26-22(27)18-11-13-24-20(15-18)23(28)25-12-10-17-6-4-3-5-7-17/h3-9,11,13-15H,10,12H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyWPCPQGQBKBQBNW-UHFFFAOYSA-N
XLogP3.62
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-methoxy-5-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide
CID 109089696
N-(2-methoxy-5-methylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213702
2-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109086465
2-N-(2-methoxyphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089048
2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109085771
4-N-(2,5-dimethylphenyl)-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082390
2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide
CID 109088169
4-N-[(4-fluorophenyl)methyl]-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109086540
4-N-(4-chlorophenyl)-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109092862
2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 109175999
N-[2-(3-chlorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109218487
4-N-tert-butyl-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109089176

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxy-5-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(2-methoxy-5-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide (CID 109087816) is 4-N-(2-methoxy-5-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-methoxy-5-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(2-methoxy-5-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide is COc1ccc(C)cc1NC(=O)c1ccnc(C(=O)NCCc2ccccc2)c1.
What is the InChIKey of 4-N-(2-methoxy-5-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide?
The InChIKey is WPCPQGQBKBQBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-16-8-9-21(29-2)19(14-16)26-22(27)18-11-13-24-20(15-18)23(28)25-12-10-17-6-4-3-5-7-17/h3-9,11,13-15H,10,12H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 4-N-(2-methoxy-5-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide?
4-N-(2-methoxy-5-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxy-5-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109087816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).