4-N-(4-ethoxyphenyl)-2-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide

C22H21N3O4 — CID 109093012

IUPAC4-N-(4-ethoxyphenyl)-2-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2ccnc(C(=O)Nc3ccccc3OC)c2)cc1
InChIInChI=1S/C22H21N3O4/c1-3-29-17-10-8-16(9-11-17)24-21(26)15-12-13-23-19(14-15)22(27)25-18-6-4-5-7-20(18)28-2/h4-14H,3H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyDBZRPVDPRMWKGX-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.99
Rot. Bonds7

About 4-N-(4-ethoxyphenyl)-2-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide

4-N-(4-ethoxyphenyl)-2-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109093012) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 4-N-(4-ethoxyphenyl)-2-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-ethoxyphenyl)-2-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide
PubChem CID109093012
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name4-N-(4-ethoxyphenyl)-2-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2ccnc(C(=O)Nc3ccccc3OC)c2)cc1
InChIInChI=1S/C22H21N3O4/c1-3-29-17-10-8-16(9-11-17)24-21(26)15-12-13-23-19(14-15)22(27)25-18-6-4-5-7-20(18)28-2/h4-14H,3H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyDBZRPVDPRMWKGX-UHFFFAOYSA-N
XLogP3.99
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethoxyphenyl)-2-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(4-ethoxyphenyl)-2-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide (CID 109093012) is 4-N-(4-ethoxyphenyl)-2-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-ethoxyphenyl)-2-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(4-ethoxyphenyl)-2-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide is CCOc1ccc(NC(=O)c2ccnc(C(=O)Nc3ccccc3OC)c2)cc1.
What is the InChIKey of 4-N-(4-ethoxyphenyl)-2-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is DBZRPVDPRMWKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-3-29-17-10-8-16(9-11-17)24-21(26)15-12-13-23-19(14-15)22(27)25-18-6-4-5-7-20(18)28-2/h4-14H,3H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 4-N-(4-ethoxyphenyl)-2-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide?
4-N-(4-ethoxyphenyl)-2-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethoxyphenyl)-2-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109093012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).