4-N-benzyl-2-N-(2-methoxyethyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide

C20H25N3O3 — CID 109082370

IUPAC4-N-benzyl-2-N-(2-methoxyethyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
SMILESCOCCNC(=O)c1cc(C(=O)N(Cc2ccccc2)C(C)C)ccn1
InChIInChI=1S/C20H25N3O3/c1-15(2)23(14-16-7-5-4-6-8-16)20(25)17-9-10-21-18(13-17)19(24)22-11-12-26-3/h4-10,13,15H,11-12,14H2,1-3H3,(H,22,24)
InChIKeyRUUNIDDICMNBSS-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.51
Rot. Bonds8

About 4-N-benzyl-2-N-(2-methoxyethyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide

4-N-benzyl-2-N-(2-methoxyethyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide (PubChem CID 109082370) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(2-methoxyethyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-2-N-(2-methoxyethyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
PubChem CID109082370
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name4-N-benzyl-2-N-(2-methoxyethyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
SMILESCOCCNC(=O)c1cc(C(=O)N(Cc2ccccc2)C(C)C)ccn1
InChIInChI=1S/C20H25N3O3/c1-15(2)23(14-16-7-5-4-6-8-16)20(25)17-9-10-21-18(13-17)19(24)22-11-12-26-3/h4-10,13,15H,11-12,14H2,1-3H3,(H,22,24)
InChIKeyRUUNIDDICMNBSS-UHFFFAOYSA-N
XLogP2.51
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-N-benzyl-2-N-(2-methoxyethyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082319
4-N-benzyl-2-N-(3-methoxypropyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109082654
4-[benzyl(methyl)amino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205672
2-N-benzyl-4-N-butan-2-yl-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109080007
4-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205803
N-benzyl-2-(benzylamino)-N-propan-2-ylpyridine-4-carboxamide
CID 109169536
N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide
CID 807482
N-benzyl-2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyridine-4-carboxamide
CID 109167828
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109079379
N-benzyl-2-[(2-fluorophenyl)methylamino]-N-propan-2-ylpyridine-4-carboxamide
CID 109170485
2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109082372

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-(2-methoxyethyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-2-N-(2-methoxyethyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide (CID 109082370) is 4-N-benzyl-2-N-(2-methoxyethyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-2-N-(2-methoxyethyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-2-N-(2-methoxyethyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide is COCCNC(=O)c1cc(C(=O)N(Cc2ccccc2)C(C)C)ccn1.
What is the InChIKey of 4-N-benzyl-2-N-(2-methoxyethyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide?
The InChIKey is RUUNIDDICMNBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-15(2)23(14-16-7-5-4-6-8-16)20(25)17-9-10-21-18(13-17)19(24)22-11-12-26-3/h4-10,13,15H,11-12,14H2,1-3H3,(H,22,24).
What are the key properties of 4-N-benzyl-2-N-(2-methoxyethyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide?
4-N-benzyl-2-N-(2-methoxyethyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-(2-methoxyethyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109082370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).