5-N-ethyl-3-N-[(4-methylphenyl)methyl]-5-N-phenylpyridine-3,5-dicarboxamide

C23H23N3O2 — CID 109105299

IUPAC5-N-ethyl-3-N-[(4-methylphenyl)methyl]-5-N-phenylpyridine-3,5-dicarboxamide
SMILESCCN(C(=O)c1cncc(C(=O)NCc2ccc(C)cc2)c1)c1ccccc1
InChIInChI=1S/C23H23N3O2/c1-3-26(21-7-5-4-6-8-21)23(28)20-13-19(15-24-16-20)22(27)25-14-18-11-9-17(2)10-12-18/h4-13,15-16H,3,14H2,1-2H3,(H,25,27)
InChIKeyPRCLHYSUANWUFY-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.99
Rot. Bonds6

About 5-N-ethyl-3-N-[(4-methylphenyl)methyl]-5-N-phenylpyridine-3,5-dicarboxamide

5-N-ethyl-3-N-[(4-methylphenyl)methyl]-5-N-phenylpyridine-3,5-dicarboxamide (PubChem CID 109105299) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 5-N-ethyl-3-N-[(4-methylphenyl)methyl]-5-N-phenylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-ethyl-3-N-[(4-methylphenyl)methyl]-5-N-phenylpyridine-3,5-dicarboxamide
PubChem CID109105299
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name5-N-ethyl-3-N-[(4-methylphenyl)methyl]-5-N-phenylpyridine-3,5-dicarboxamide
SMILESCCN(C(=O)c1cncc(C(=O)NCc2ccc(C)cc2)c1)c1ccccc1
InChIInChI=1S/C23H23N3O2/c1-3-26(21-7-5-4-6-8-21)23(28)20-13-19(15-24-16-20)22(27)25-14-18-11-9-17(2)10-12-18/h4-13,15-16H,3,14H2,1-2H3,(H,25,27)
InChIKeyPRCLHYSUANWUFY-UHFFFAOYSA-N
XLogP3.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-ethyl-1-N-[(4-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
CID 109054394
5-N-benzyl-5-N-ethyl-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105262
5-N-ethyl-5-N-(3-methylphenyl)-3-N-[(2-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105164
N-benzyl-5-(N-ethylanilino)pyridine-3-carboxamide
CID 109231703
N-ethyl-5-(3-methylanilino)-N-phenylpyridine-3-carboxamide
CID 109241929
N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide
CID 109231691
3-N-[2-(dimethylamino)ethyl]-5-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109104032
2-(N-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256137
5-N-(2-cyanophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105328
3-N-cycloheptyl-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109107040
N-ethyl-5-(N-ethylanilino)-N-phenylpyridine-3-carboxamide
CID 109243544
5-N-ethyl-3-N-(3-fluorophenyl)-5-N-phenylpyridine-3,5-dicarboxamide
CID 109108560

Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-3-N-[(4-methylphenyl)methyl]-5-N-phenylpyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-ethyl-3-N-[(4-methylphenyl)methyl]-5-N-phenylpyridine-3,5-dicarboxamide (CID 109105299) is 5-N-ethyl-3-N-[(4-methylphenyl)methyl]-5-N-phenylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-ethyl-3-N-[(4-methylphenyl)methyl]-5-N-phenylpyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-ethyl-3-N-[(4-methylphenyl)methyl]-5-N-phenylpyridine-3,5-dicarboxamide is CCN(C(=O)c1cncc(C(=O)NCc2ccc(C)cc2)c1)c1ccccc1.
What is the InChIKey of 5-N-ethyl-3-N-[(4-methylphenyl)methyl]-5-N-phenylpyridine-3,5-dicarboxamide?
The InChIKey is PRCLHYSUANWUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-3-26(21-7-5-4-6-8-21)23(28)20-13-19(15-24-16-20)22(27)25-14-18-11-9-17(2)10-12-18/h4-13,15-16H,3,14H2,1-2H3,(H,25,27).
What are the key properties of 5-N-ethyl-3-N-[(4-methylphenyl)methyl]-5-N-phenylpyridine-3,5-dicarboxamide?
5-N-ethyl-3-N-[(4-methylphenyl)methyl]-5-N-phenylpyridine-3,5-dicarboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-3-N-[(4-methylphenyl)methyl]-5-N-phenylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109105299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).