4-N-benzyl-2-N-(3-methoxypropyl)-4-N-methylpyridine-2,4-dicarboxamide

C19H23N3O3 — CID 109082654

IUPAC4-N-benzyl-2-N-(3-methoxypropyl)-4-N-methylpyridine-2,4-dicarboxamide
SMILESCOCCCNC(=O)c1cc(C(=O)N(C)Cc2ccccc2)ccn1
InChIInChI=1S/C19H23N3O3/c1-22(14-15-7-4-3-5-8-15)19(24)16-9-11-20-17(13-16)18(23)21-10-6-12-25-2/h3-5,7-9,11,13H,6,10,12,14H2,1-2H3,(H,21,23)
InChIKeySEZREGVUEQEOBU-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.12
Rot. Bonds8

About 4-N-benzyl-2-N-(3-methoxypropyl)-4-N-methylpyridine-2,4-dicarboxamide

4-N-benzyl-2-N-(3-methoxypropyl)-4-N-methylpyridine-2,4-dicarboxamide (PubChem CID 109082654) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(3-methoxypropyl)-4-N-methylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-2-N-(3-methoxypropyl)-4-N-methylpyridine-2,4-dicarboxamide
PubChem CID109082654
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name4-N-benzyl-2-N-(3-methoxypropyl)-4-N-methylpyridine-2,4-dicarboxamide
SMILESCOCCCNC(=O)c1cc(C(=O)N(C)Cc2ccccc2)ccn1
InChIInChI=1S/C19H23N3O3/c1-22(14-15-7-4-3-5-8-15)19(24)16-9-11-20-17(13-16)18(23)21-10-6-12-25-2/h3-5,7-9,11,13H,6,10,12,14H2,1-2H3,(H,21,23)
InChIKeySEZREGVUEQEOBU-UHFFFAOYSA-N
XLogP2.12
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-benzyl-2-N-(2-methoxyethyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109082370
4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086172
1-benzyl-3-(3-methoxypropyl)-1-methylurea
CID 108988118
4-N-[2-(dimethylamino)ethyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082641
4-N-benzyl-4-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109086176
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086169
4-N-benzyl-2-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086171
4-N-benzyl-2-N-(3,5-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086206
4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086207
2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380
4-[benzyl(methyl)amino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205672
4-N-benzyl-2-N-(2-ethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086209

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-(3-methoxypropyl)-4-N-methylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-2-N-(3-methoxypropyl)-4-N-methylpyridine-2,4-dicarboxamide (CID 109082654) is 4-N-benzyl-2-N-(3-methoxypropyl)-4-N-methylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-2-N-(3-methoxypropyl)-4-N-methylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-2-N-(3-methoxypropyl)-4-N-methylpyridine-2,4-dicarboxamide is COCCCNC(=O)c1cc(C(=O)N(C)Cc2ccccc2)ccn1.
What is the InChIKey of 4-N-benzyl-2-N-(3-methoxypropyl)-4-N-methylpyridine-2,4-dicarboxamide?
The InChIKey is SEZREGVUEQEOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-22(14-15-7-4-3-5-8-15)19(24)16-9-11-20-17(13-16)18(23)21-10-6-12-25-2/h3-5,7-9,11,13H,6,10,12,14H2,1-2H3,(H,21,23).
What are the key properties of 4-N-benzyl-2-N-(3-methoxypropyl)-4-N-methylpyridine-2,4-dicarboxamide?
4-N-benzyl-2-N-(3-methoxypropyl)-4-N-methylpyridine-2,4-dicarboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.12, 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-(3-methoxypropyl)-4-N-methylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109082654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).