3-N-(2,5-dimethoxyphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide

C19H23N3O4 — CID 109106788

IUPAC3-N-(2,5-dimethoxyphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
SMILESCCN(CC)C(=O)c1cncc(C(=O)Nc2cc(OC)ccc2OC)c1
InChIInChI=1S/C19H23N3O4/c1-5-22(6-2)19(24)14-9-13(11-20-12-14)18(23)21-16-10-15(25-3)7-8-17(16)26-4/h7-12H,5-6H2,1-4H3,(H,21,23)
InChIKeyJYCKOFYWARXNNO-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.83
Rot. Bonds7

About 3-N-(2,5-dimethoxyphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide

3-N-(2,5-dimethoxyphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide (PubChem CID 109106788) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-N-(2,5-dimethoxyphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(2,5-dimethoxyphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
PubChem CID109106788
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name3-N-(2,5-dimethoxyphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
SMILESCCN(CC)C(=O)c1cncc(C(=O)Nc2cc(OC)ccc2OC)c1
InChIInChI=1S/C19H23N3O4/c1-5-22(6-2)19(24)14-9-13(11-20-12-14)18(23)21-16-10-15(25-3)7-8-17(16)26-4/h7-12H,5-6H2,1-4H3,(H,21,23)
InChIKeyJYCKOFYWARXNNO-UHFFFAOYSA-N
XLogP2.83
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2,5-dimethoxyphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(2,5-dimethoxyphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide (CID 109106788) is 3-N-(2,5-dimethoxyphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(2,5-dimethoxyphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(2,5-dimethoxyphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide is CCN(CC)C(=O)c1cncc(C(=O)Nc2cc(OC)ccc2OC)c1.
What is the InChIKey of 3-N-(2,5-dimethoxyphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide?
The InChIKey is JYCKOFYWARXNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-5-22(6-2)19(24)14-9-13(11-20-12-14)18(23)21-16-10-15(25-3)7-8-17(16)26-4/h7-12H,5-6H2,1-4H3,(H,21,23).
What are the key properties of 3-N-(2,5-dimethoxyphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide?
3-N-(2,5-dimethoxyphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,5-dimethoxyphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109106788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).