5-N-cyclopropyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide

C18H19N3O2 — CID 109101623

IUPAC5-N-cyclopropyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
SMILESCCc1ccccc1NC(=O)c1cncc(C(=O)NC2CC2)c1
InChIInChI=1S/C18H19N3O2/c1-2-12-5-3-4-6-16(12)21-18(23)14-9-13(10-19-11-14)17(22)20-15-7-8-15/h3-6,9-11,15H,2,7-8H2,1H3,(H,20,22)(H,21,23)
InChIKeyICLWUBZFXNFHMR-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.79
Rot. Bonds5

About 5-N-cyclopropyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide

5-N-cyclopropyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide (PubChem CID 109101623) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-N-cyclopropyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-cyclopropyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
PubChem CID109101623
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name5-N-cyclopropyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
SMILESCCc1ccccc1NC(=O)c1cncc(C(=O)NC2CC2)c1
InChIInChI=1S/C18H19N3O2/c1-2-12-5-3-4-6-16(12)21-18(23)14-9-13(10-19-11-14)17(22)20-15-7-8-15/h3-6,9-11,15H,2,7-8H2,1H3,(H,20,22)(H,21,23)
InChIKeyICLWUBZFXNFHMR-UHFFFAOYSA-N
XLogP2.79
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-cyclohexyl-3-N-(2,6-diethylphenyl)pyridine-3,5-dicarboxamide
CID 109103083
3-N-butyl-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109102007
5-N-tert-butyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109106923
5-N-(2-ethylphenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103951
5-N-(2-ethylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103642
N-(2-ethylphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102918
5-N-(3-chloro-2-methylphenyl)-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109108471
5-N-cycloheptyl-3-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide
CID 109107049
5-N-(2-ethylphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105539
3-N-(3-chlorophenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109108469
3-N-(4-ethoxyphenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109108480
N-(1,1-dioxothiolan-3-yl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109237184

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopropyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-cyclopropyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide (CID 109101623) is 5-N-cyclopropyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-cyclopropyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-cyclopropyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide is CCc1ccccc1NC(=O)c1cncc(C(=O)NC2CC2)c1.
What is the InChIKey of 5-N-cyclopropyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide?
The InChIKey is ICLWUBZFXNFHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-2-12-5-3-4-6-16(12)21-18(23)14-9-13(10-19-11-14)17(22)20-15-7-8-15/h3-6,9-11,15H,2,7-8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 5-N-cyclopropyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide?
5-N-cyclopropyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopropyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109101623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).