2-N-benzyl-2-N-ethyl-4-N-pentylpyridine-2,4-dicarboxamide

C21H27N3O2 — CID 109087067

IUPAC2-N-benzyl-2-N-ethyl-4-N-pentylpyridine-2,4-dicarboxamide
SMILESCCCCCNC(=O)c1ccnc(C(=O)N(CC)Cc2ccccc2)c1
InChIInChI=1S/C21H27N3O2/c1-3-5-9-13-23-20(25)18-12-14-22-19(15-18)21(26)24(4-2)16-17-10-7-6-8-11-17/h6-8,10-12,14-15H,3-5,9,13,16H2,1-2H3,(H,23,25)
InChIKeyYRDFZNYYFIYQTJ-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.66
Rot. Bonds9

About 2-N-benzyl-2-N-ethyl-4-N-pentylpyridine-2,4-dicarboxamide

2-N-benzyl-2-N-ethyl-4-N-pentylpyridine-2,4-dicarboxamide (PubChem CID 109087067) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-N-benzyl-2-N-ethyl-4-N-pentylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-benzyl-2-N-ethyl-4-N-pentylpyridine-2,4-dicarboxamide
PubChem CID109087067
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-N-benzyl-2-N-ethyl-4-N-pentylpyridine-2,4-dicarboxamide
SMILESCCCCCNC(=O)c1ccnc(C(=O)N(CC)Cc2ccccc2)c1
InChIInChI=1S/C21H27N3O2/c1-3-5-9-13-23-20(25)18-12-14-22-19(15-18)21(26)24(4-2)16-17-10-7-6-8-11-17/h6-8,10-12,14-15H,3-5,9,13,16H2,1-2H3,(H,23,25)
InChIKeyYRDFZNYYFIYQTJ-UHFFFAOYSA-N
XLogP3.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-benzyl-4-N-butyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109079334
2-N-benzyl-4-N-cyclohexyl-2-N-ethylpyridine-2,4-dicarboxamide
CID 109081382
2-N-benzyl-2-N-ethyl-4-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085684
N-benzyl-N-ethyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109306804
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911
4-(azepane-1-carbonyl)-N-benzyl-N-ethylpyridine-2-carboxamide
CID 109087072
3-N-benzyl-3-N-ethyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050312
2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109082372
4-N-benzyl-4-N-ethyl-2-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085931
N-benzyl-N-ethyl-2-(propylamino)pyridine-4-carboxamide
CID 109165092
2-(diethylamino)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109174754
2-(diethylamino)-N-pentylpyridine-4-carboxamide
CID 109174759

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-2-N-ethyl-4-N-pentylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-benzyl-2-N-ethyl-4-N-pentylpyridine-2,4-dicarboxamide (CID 109087067) is 2-N-benzyl-2-N-ethyl-4-N-pentylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-benzyl-2-N-ethyl-4-N-pentylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-benzyl-2-N-ethyl-4-N-pentylpyridine-2,4-dicarboxamide is CCCCCNC(=O)c1ccnc(C(=O)N(CC)Cc2ccccc2)c1.
What is the InChIKey of 2-N-benzyl-2-N-ethyl-4-N-pentylpyridine-2,4-dicarboxamide?
The InChIKey is YRDFZNYYFIYQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-3-5-9-13-23-20(25)18-12-14-22-19(15-18)21(26)24(4-2)16-17-10-7-6-8-11-17/h6-8,10-12,14-15H,3-5,9,13,16H2,1-2H3,(H,23,25).
What are the key properties of 2-N-benzyl-2-N-ethyl-4-N-pentylpyridine-2,4-dicarboxamide?
2-N-benzyl-2-N-ethyl-4-N-pentylpyridine-2,4-dicarboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-2-N-ethyl-4-N-pentylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109087067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).