6-N-benzyl-6-N-ethyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide

C22H22N4O2 — CID 109098074

IUPAC6-N-benzyl-6-N-ethyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cccc(C(=O)NCc2ccncc2)n1
InChIInChI=1S/C22H22N4O2/c1-2-26(16-18-7-4-3-5-8-18)22(28)20-10-6-9-19(25-20)21(27)24-15-17-11-13-23-14-12-17/h3-14H,2,15-16H2,1H3,(H,24,27)
InChIKeyQPVZTDSAUDZMOP-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.07
Rot. Bonds7

About 6-N-benzyl-6-N-ethyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide

6-N-benzyl-6-N-ethyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide (PubChem CID 109098074) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 6-N-benzyl-6-N-ethyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-benzyl-6-N-ethyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
PubChem CID109098074
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name6-N-benzyl-6-N-ethyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cccc(C(=O)NCc2ccncc2)n1
InChIInChI=1S/C22H22N4O2/c1-2-26(16-18-7-4-3-5-8-18)22(28)20-10-6-9-19(25-20)21(27)24-15-17-11-13-23-14-12-17/h3-14H,2,15-16H2,1H3,(H,24,27)
InChIKeyQPVZTDSAUDZMOP-UHFFFAOYSA-N
XLogP3.07
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-benzyl-6-N-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097660
6-N-benzyl-6-N-ethyl-2-N-propylpyridine-2,6-dicarboxamide
CID 109093457
6-N-benzyl-2-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-dicarboxamide
CID 109096524
2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097501
methyl 6-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylate
CID 47408889
6-N,6-N-diethyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097429
6-N-tert-butyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098333
2-N-[(4-methoxyphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098007
6-N-benzyl-2-N-(2,5-dimethylphenyl)-6-N-ethylpyridine-2,6-dicarboxamide
CID 109098095
4-N-benzyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047086
6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 62232710
6-amino-N-benzylpyridine-2-carboxamide
CID 62240949

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-6-N-ethyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-benzyl-6-N-ethyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide (CID 109098074) is 6-N-benzyl-6-N-ethyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-benzyl-6-N-ethyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-benzyl-6-N-ethyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide is CCN(Cc1ccccc1)C(=O)c1cccc(C(=O)NCc2ccncc2)n1.
What is the InChIKey of 6-N-benzyl-6-N-ethyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide?
The InChIKey is QPVZTDSAUDZMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-2-26(16-18-7-4-3-5-8-18)22(28)20-10-6-9-19(25-20)21(27)24-15-17-11-13-23-14-12-17/h3-14H,2,15-16H2,1H3,(H,24,27).
What are the key properties of 6-N-benzyl-6-N-ethyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide?
6-N-benzyl-6-N-ethyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-6-N-ethyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109098074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).