4-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide

C20H19N3O4 — CID 109085231

IUPAC4-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCCOc1ccccc1NC(=O)c1ccnc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C20H19N3O4/c1-2-26-18-8-4-3-7-16(18)23-19(24)14-9-10-21-17(12-14)20(25)22-13-15-6-5-11-27-15/h3-12H,2,13H2,1H3,(H,22,25)(H,23,24)
InChIKeyDJECHSPARAWKST-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.26
Rot. Bonds7

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

4-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide (PubChem CID 109085231) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 4-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
PubChem CID109085231
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name4-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCCOc1ccccc1NC(=O)c1ccnc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C20H19N3O4/c1-2-26-18-8-4-3-7-16(18)23-19(24)14-9-10-21-17(12-14)20(25)22-13-15-6-5-11-27-15/h3-12H,2,13H2,1H3,(H,22,25)(H,23,24)
InChIKeyDJECHSPARAWKST-UHFFFAOYSA-N
XLogP3.26
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide (CID 109085231) is 4-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide is CCOc1ccccc1NC(=O)c1ccnc(C(=O)NCc2ccco2)c1.
What is the InChIKey of 4-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The InChIKey is DJECHSPARAWKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-2-26-18-8-4-3-7-16(18)23-19(24)14-9-10-21-17(12-14)20(25)22-13-15-6-5-11-27-15/h3-12H,2,13H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 4-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide?
4-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide has a molecular weight of 365.39 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109085231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).