3-N,3-N,5-N,5-N-tetraethyl-4-phenylpyridine-3,5-dicarboxamide

C21H27N3O2 — CID 1070243

IUPAC3-N,3-N,5-N,5-N-tetraethyl-4-phenylpyridine-3,5-dicarboxamide
SMILESCCN(CC)C(=O)c1cncc(C(=O)N(CC)CC)c1-c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-5-23(6-2)20(25)17-14-22-15-18(21(26)24(7-3)8-4)19(17)16-12-10-9-11-13-16/h9-15H,5-8H2,1-4H3
InChIKeyOXSDAOLJSPHDKO-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.71
Rot. Bonds7

About 3-N,3-N,5-N,5-N-tetraethyl-4-phenylpyridine-3,5-dicarboxamide

3-N,3-N,5-N,5-N-tetraethyl-4-phenylpyridine-3,5-dicarboxamide (PubChem CID 1070243) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-N,3-N,5-N,5-N-tetraethyl-4-phenylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,3-N,5-N,5-N-tetraethyl-4-phenylpyridine-3,5-dicarboxamide
PubChem CID1070243
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name3-N,3-N,5-N,5-N-tetraethyl-4-phenylpyridine-3,5-dicarboxamide
SMILESCCN(CC)C(=O)c1cncc(C(=O)N(CC)CC)c1-c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-5-23(6-2)20(25)17-14-22-15-18(21(26)24(7-3)8-4)19(17)16-12-10-9-11-13-16/h9-15H,5-8H2,1-4H3
InChIKeyOXSDAOLJSPHDKO-UHFFFAOYSA-N
XLogP3.71
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,5-N,5-N-tetraethyl-4-phenylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N,3-N,5-N,5-N-tetraethyl-4-phenylpyridine-3,5-dicarboxamide (CID 1070243) is 3-N,3-N,5-N,5-N-tetraethyl-4-phenylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N,3-N,5-N,5-N-tetraethyl-4-phenylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N,3-N,5-N,5-N-tetraethyl-4-phenylpyridine-3,5-dicarboxamide is CCN(CC)C(=O)c1cncc(C(=O)N(CC)CC)c1-c1ccccc1.
What is the InChIKey of 3-N,3-N,5-N,5-N-tetraethyl-4-phenylpyridine-3,5-dicarboxamide?
The InChIKey is OXSDAOLJSPHDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-5-23(6-2)20(25)17-14-22-15-18(21(26)24(7-3)8-4)19(17)16-12-10-9-11-13-16/h9-15H,5-8H2,1-4H3.
What are the key properties of 3-N,3-N,5-N,5-N-tetraethyl-4-phenylpyridine-3,5-dicarboxamide?
3-N,3-N,5-N,5-N-tetraethyl-4-phenylpyridine-3,5-dicarboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,5-N,5-N-tetraethyl-4-phenylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 1070243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).