6-N-benzyl-2-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-dicarboxamide

C21H27N3O2 — CID 109098082

IUPAC6-N-benzyl-2-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-dicarboxamide
SMILESCCCCN(C)C(=O)c1cccc(C(=O)N(CC)Cc2ccccc2)n1
InChIInChI=1S/C21H27N3O2/c1-4-6-15-23(3)20(25)18-13-10-14-19(22-18)21(26)24(5-2)16-17-11-8-7-9-12-17/h7-14H,4-6,15-16H2,1-3H3
InChIKeyYHERXLGXZIXVRZ-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.62
Rot. Bonds8

About 6-N-benzyl-2-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-dicarboxamide

6-N-benzyl-2-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-dicarboxamide (PubChem CID 109098082) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 6-N-benzyl-2-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-benzyl-2-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-dicarboxamide
PubChem CID109098082
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name6-N-benzyl-2-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-dicarboxamide
SMILESCCCCN(C)C(=O)c1cccc(C(=O)N(CC)Cc2ccccc2)n1
InChIInChI=1S/C21H27N3O2/c1-4-6-15-23(3)20(25)18-13-10-14-19(22-18)21(26)24(5-2)16-17-11-8-7-9-12-17/h7-14H,4-6,15-16H2,1-3H3
InChIKeyYHERXLGXZIXVRZ-UHFFFAOYSA-N
XLogP3.62
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-butyl-6-N,6-N-diethyl-2-N-methylpyridine-2,6-dicarboxamide
CID 109098960
6-N-benzyl-2-N-butyl-2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109099313
6-N-benzyl-2-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-dicarboxamide
CID 109096524
6-N-benzyl-6-N-ethyl-2-N-propylpyridine-2,6-dicarboxamide
CID 109093457
2-[benzyl(methyl)amino]-N-butyl-N-methylpyrimidine-4-carboxamide
CID 109305016
6-[butyl(ethyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558340
N-benzyl-2-(dipropylamino)-N-ethylpyrimidine-4-carboxamide
CID 109306808
3-N-benzyl-1-N-butyl-3-N-ethyl-1-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076403
N-benzyl-5-(dipropylamino)-N-ethylpyridine-2-carboxamide
CID 109190727
N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]-N-ethylacetamide
CID 111158887
6-N-benzyl-6-N-ethyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098074
4-[benzyl(methyl)amino]-N-butyl-N-methylpyridine-2-carboxamide
CID 109211042

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-2-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-benzyl-2-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-dicarboxamide (CID 109098082) is 6-N-benzyl-2-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-benzyl-2-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-benzyl-2-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-dicarboxamide is CCCCN(C)C(=O)c1cccc(C(=O)N(CC)Cc2ccccc2)n1.
What is the InChIKey of 6-N-benzyl-2-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-dicarboxamide?
The InChIKey is YHERXLGXZIXVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-4-6-15-23(3)20(25)18-13-10-14-19(22-18)21(26)24(5-2)16-17-11-8-7-9-12-17/h7-14H,4-6,15-16H2,1-3H3.
What are the key properties of 6-N-benzyl-2-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-dicarboxamide?
6-N-benzyl-2-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-dicarboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-2-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 109098082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).