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

C24H25N3O2 — CID 109105262

IUPAC5-N-benzyl-5-N-ethyl-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cncc(C(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C24H25N3O2/c1-3-27(17-20-7-5-4-6-8-20)24(29)22-13-21(15-25-16-22)23(28)26-14-19-11-9-18(2)10-12-19/h4-13,15-16H,3,14,17H2,1-2H3,(H,26,28)
InChIKeyGJDRIAWNGZIGAT-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.98
Rot. Bonds7

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

5-N-benzyl-5-N-ethyl-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide (PubChem CID 109105262) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 5-N-benzyl-5-N-ethyl-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-benzyl-5-N-ethyl-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
PubChem CID109105262
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name5-N-benzyl-5-N-ethyl-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cncc(C(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C24H25N3O2/c1-3-27(17-20-7-5-4-6-8-20)24(29)22-13-21(15-25-16-22)23(28)26-14-19-11-9-18(2)10-12-19/h4-13,15-16H,3,14,17H2,1-2H3,(H,26,28)
InChIKeyGJDRIAWNGZIGAT-UHFFFAOYSA-N
XLogP3.98
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-benzyl-5-N-ethyl-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105843
5-N-ethyl-3-N-[(4-methylphenyl)methyl]-5-N-phenylpyridine-3,5-dicarboxamide
CID 109105299
5-N-benzyl-3-N-(2,5-dimethylphenyl)-5-N-ethylpyridine-3,5-dicarboxamide
CID 109105863
5-N-benzyl-5-N-ethyl-3-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103413
4-N-benzyl-4-N-ethyl-2-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085931
1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea
CID 108899084
N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide
CID 109231691
N-benzyl-5-(N-ethylanilino)pyridine-3-carboxamide
CID 109231703
3-N-[2-(dimethylamino)ethyl]-5-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109104032
5-[benzyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109233157
5-N-benzyl-5-N-propan-2-yl-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106106
N-benzyl-5-(4-tert-butylanilino)-N-ethylpyridine-3-carboxamide
CID 109234765

Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-5-N-ethyl-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-benzyl-5-N-ethyl-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide (CID 109105262) is 5-N-benzyl-5-N-ethyl-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-benzyl-5-N-ethyl-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-benzyl-5-N-ethyl-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide is CCN(Cc1ccccc1)C(=O)c1cncc(C(=O)NCc2ccc(C)cc2)c1.
What is the InChIKey of 5-N-benzyl-5-N-ethyl-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide?
The InChIKey is GJDRIAWNGZIGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-3-27(17-20-7-5-4-6-8-20)24(29)22-13-21(15-25-16-22)23(28)26-14-19-11-9-18(2)10-12-19/h4-13,15-16H,3,14,17H2,1-2H3,(H,26,28).
What are the key properties of 5-N-benzyl-5-N-ethyl-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide?
5-N-benzyl-5-N-ethyl-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide has a molecular weight of 387.48 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzyl-5-N-ethyl-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109105262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).