2-N-benzyl-4-N-cyclohexyl-2-N-ethylpyridine-2,4-dicarboxamide

C22H27N3O2 — CID 109081382

IUPAC2-N-benzyl-4-N-cyclohexyl-2-N-ethylpyridine-2,4-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(C(=O)NC2CCCCC2)ccn1
InChIInChI=1S/C22H27N3O2/c1-2-25(16-17-9-5-3-6-10-17)22(27)20-15-18(13-14-23-20)21(26)24-19-11-7-4-8-12-19/h3,5-6,9-10,13-15,19H,2,4,7-8,11-12,16H2,1H3,(H,24,26)
InChIKeyUDKVOOQYBRKLQM-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.81
Rot. Bonds6

About 2-N-benzyl-4-N-cyclohexyl-2-N-ethylpyridine-2,4-dicarboxamide

2-N-benzyl-4-N-cyclohexyl-2-N-ethylpyridine-2,4-dicarboxamide (PubChem CID 109081382) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-N-benzyl-4-N-cyclohexyl-2-N-ethylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-benzyl-4-N-cyclohexyl-2-N-ethylpyridine-2,4-dicarboxamide
PubChem CID109081382
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-N-benzyl-4-N-cyclohexyl-2-N-ethylpyridine-2,4-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(C(=O)NC2CCCCC2)ccn1
InChIInChI=1S/C22H27N3O2/c1-2-25(16-17-9-5-3-6-10-17)22(27)20-15-18(13-14-23-20)21(26)24-19-11-7-4-8-12-19/h3,5-6,9-10,13-15,19H,2,4,7-8,11-12,16H2,1H3,(H,24,26)
InChIKeyUDKVOOQYBRKLQM-UHFFFAOYSA-N
XLogP3.81
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-benzyl-1-N-cyclopentyl-4-N-ethylbenzene-1,4-dicarboxamide
CID 109044420
2-N-benzyl-2-N-ethyl-4-N-pentylpyridine-2,4-dicarboxamide
CID 109087067
4-N-cyclohexyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109081406
4-(azepane-1-carbonyl)-N-benzyl-N-ethylpyridine-2-carboxamide
CID 109087072
4-N-cycloheptyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089061
2-N-benzyl-2-N-ethyl-4-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085684
4-[benzyl(ethyl)amino]-N-cycloheptylpyridine-2-carboxamide
CID 109212597
4-[benzyl(ethyl)amino]-N-cyclopentylpyridine-2-carboxamide
CID 109204016
2-[benzyl(ethyl)amino]-N-cyclohexylpyrimidine-4-carboxamide
CID 109298800
N-benzyl-N-ethyl-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203831
N-benzyl-2-(cyclohexylamino)-N-ethylpyrimidine-5-carboxamide
CID 109250486
4-N-benzyl-4-N-ethyl-2-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085931

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-cyclohexyl-2-N-ethylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-benzyl-4-N-cyclohexyl-2-N-ethylpyridine-2,4-dicarboxamide (CID 109081382) is 2-N-benzyl-4-N-cyclohexyl-2-N-ethylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-benzyl-4-N-cyclohexyl-2-N-ethylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-benzyl-4-N-cyclohexyl-2-N-ethylpyridine-2,4-dicarboxamide is CCN(Cc1ccccc1)C(=O)c1cc(C(=O)NC2CCCCC2)ccn1.
What is the InChIKey of 2-N-benzyl-4-N-cyclohexyl-2-N-ethylpyridine-2,4-dicarboxamide?
The InChIKey is UDKVOOQYBRKLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-2-25(16-17-9-5-3-6-10-17)22(27)20-15-18(13-14-23-20)21(26)24-19-11-7-4-8-12-19/h3,5-6,9-10,13-15,19H,2,4,7-8,11-12,16H2,1H3,(H,24,26).
What are the key properties of 2-N-benzyl-4-N-cyclohexyl-2-N-ethylpyridine-2,4-dicarboxamide?
2-N-benzyl-4-N-cyclohexyl-2-N-ethylpyridine-2,4-dicarboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4-N-cyclohexyl-2-N-ethylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109081382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).