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

C21H20N4O3 — CID 109098190

IUPAC6-N-(4-ethoxyphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2cccc(C(=O)NCc3ccccn3)n2)cc1
InChIInChI=1S/C21H20N4O3/c1-2-28-17-11-9-15(10-12-17)24-21(27)19-8-5-7-18(25-19)20(26)23-14-16-6-3-4-13-22-16/h3-13H,2,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyXIZYEVBXAGUFPN-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.06
Rot. Bonds7

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

6-N-(4-ethoxyphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide (PubChem CID 109098190) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 6-N-(4-ethoxyphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(4-ethoxyphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
PubChem CID109098190
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name6-N-(4-ethoxyphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2cccc(C(=O)NCc3ccccn3)n2)cc1
InChIInChI=1S/C21H20N4O3/c1-2-28-17-11-9-15(10-12-17)24-21(27)19-8-5-7-18(25-19)20(26)23-14-16-6-3-4-13-22-16/h3-13H,2,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyXIZYEVBXAGUFPN-UHFFFAOYSA-N
XLogP3.06
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306966
2-N-propyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109093458
2-N-butyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109094229
N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258753
2-(4-ethoxyphenyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55783786
6-bromo-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 103874040
6-N-(3,4-dimethylphenyl)-2-N-(4-ethoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100441
N-(4-ethoxyphenyl)-2-pyridin-2-ylacetamide
CID 110696990
2-N-[(4-chlorophenyl)methyl]-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097921
N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171760
3-(4-ethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023245
1-[(4-ethoxyphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea
CID 108890731

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-ethoxyphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-(4-ethoxyphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide (CID 109098190) is 6-N-(4-ethoxyphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(4-ethoxyphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(4-ethoxyphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide is CCOc1ccc(NC(=O)c2cccc(C(=O)NCc3ccccn3)n2)cc1.
What is the InChIKey of 6-N-(4-ethoxyphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide?
The InChIKey is XIZYEVBXAGUFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-2-28-17-11-9-15(10-12-17)24-21(27)19-8-5-7-18(25-19)20(26)23-14-16-6-3-4-13-22-16/h3-13H,2,14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 6-N-(4-ethoxyphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide?
6-N-(4-ethoxyphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-ethoxyphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109098190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).