4-(N-ethylanilino)-N-(2-methoxyphenyl)pyridine-2-carboxamide

C21H21N3O2 — CID 109220319

IUPAC4-(N-ethylanilino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
SMILESCCN(c1ccccc1)c1ccnc(C(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C21H21N3O2/c1-3-24(16-9-5-4-6-10-16)17-13-14-22-19(15-17)21(25)23-18-11-7-8-12-20(18)26-2/h4-15H,3H2,1-2H3,(H,23,25)
InChIKeyVQVFEYQQWLYONZ-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.50
Rot. Bonds6

About 4-(N-ethylanilino)-N-(2-methoxyphenyl)pyridine-2-carboxamide

4-(N-ethylanilino)-N-(2-methoxyphenyl)pyridine-2-carboxamide (PubChem CID 109220319) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-(N-ethylanilino)-N-(2-methoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(N-ethylanilino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
PubChem CID109220319
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name4-(N-ethylanilino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
SMILESCCN(c1ccccc1)c1ccnc(C(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C21H21N3O2/c1-3-24(16-9-5-4-6-10-16)17-13-14-22-19(15-17)21(25)23-18-11-7-8-12-20(18)26-2/h4-15H,3H2,1-2H3,(H,23,25)
InChIKeyVQVFEYQQWLYONZ-UHFFFAOYSA-N
XLogP4.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(N-ethylanilino)-N-(2-methoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(N-ethylanilino)-N-(2-methoxyphenyl)pyridine-2-carboxamide (CID 109220319) is 4-(N-ethylanilino)-N-(2-methoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(N-ethylanilino)-N-(2-methoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(N-ethylanilino)-N-(2-methoxyphenyl)pyridine-2-carboxamide is CCN(c1ccccc1)c1ccnc(C(=O)Nc2ccccc2OC)c1.
What is the InChIKey of 4-(N-ethylanilino)-N-(2-methoxyphenyl)pyridine-2-carboxamide?
The InChIKey is VQVFEYQQWLYONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-3-24(16-9-5-4-6-10-16)17-13-14-22-19(15-17)21(25)23-18-11-7-8-12-20(18)26-2/h4-15H,3H2,1-2H3,(H,23,25).
What are the key properties of 4-(N-ethylanilino)-N-(2-methoxyphenyl)pyridine-2-carboxamide?
4-(N-ethylanilino)-N-(2-methoxyphenyl)pyridine-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethylanilino)-N-(2-methoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109220319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).