4-(2-ethoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide

C21H21N3O2 — CID 109219228

IUPAC4-(2-ethoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCCOc1ccccc1Nc1ccnc(C(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C21H21N3O2/c1-3-26-20-7-5-4-6-18(20)23-17-12-13-22-19(14-17)21(25)24-16-10-8-15(2)9-11-16/h4-14H,3H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyXFAZCVASRGKTHX-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.78
Rot. Bonds6

About 4-(2-ethoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide

4-(2-ethoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide (PubChem CID 109219228) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-(2-ethoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-ethoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
PubChem CID109219228
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name4-(2-ethoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCCOc1ccccc1Nc1ccnc(C(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C21H21N3O2/c1-3-26-20-7-5-4-6-18(20)23-17-12-13-22-19(14-17)21(25)24-16-10-8-15(2)9-11-16/h4-14H,3H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyXFAZCVASRGKTHX-UHFFFAOYSA-N
XLogP4.78
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109221025
N-(3,5-dimethylphenyl)-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109219935
4-(2-ethoxyanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219092
6-(2-ethoxyanilino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109127101
5-(2-ethoxyanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290053
4-(4-methylanilino)-N-phenylpyridine-2-carboxamide
CID 109218739
4-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109219771
N-(4-ethoxyphenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109220430
4-(2-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217325
N-(2-ethoxyphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 109201237
2-N-(2-ethoxyphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090848
N-(2-ethoxyphenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109356224

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(2-ethoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide (CID 109219228) is 4-(2-ethoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-ethoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2-ethoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide is CCOc1ccccc1Nc1ccnc(C(=O)Nc2ccc(C)cc2)c1.
What is the InChIKey of 4-(2-ethoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide?
The InChIKey is XFAZCVASRGKTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-3-26-20-7-5-4-6-18(20)23-17-12-13-22-19(14-17)21(25)24-16-10-8-15(2)9-11-16/h4-14H,3H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 4-(2-ethoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide?
4-(2-ethoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109219228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).