5-(2,4-dimethoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide

C22H23N3O3 — CID 109243459

IUPAC5-(2,4-dimethoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cncc(Nc3ccc(OC)cc3OC)c2)cc1
InChIInChI=1S/C22H23N3O3/c1-4-15-5-7-17(8-6-15)25-22(26)16-11-18(14-23-13-16)24-20-10-9-19(27-2)12-21(20)28-3/h5-14,24H,4H2,1-3H3,(H,25,26)
InChIKeySHTPPMATPKQBFE-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.66
Rot. Bonds7

About 5-(2,4-dimethoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide

5-(2,4-dimethoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide (PubChem CID 109243459) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 5-(2,4-dimethoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-dimethoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
PubChem CID109243459
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name5-(2,4-dimethoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cncc(Nc3ccc(OC)cc3OC)c2)cc1
InChIInChI=1S/C22H23N3O3/c1-4-15-5-7-17(8-6-15)25-22(26)16-11-18(14-23-13-16)24-20-10-9-19(27-2)12-21(20)28-3/h5-14,24H,4H2,1-3H3,(H,25,26)
InChIKeySHTPPMATPKQBFE-UHFFFAOYSA-N
XLogP4.66
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,5-dimethoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243458
5-(2,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109243833
5-(2,4-dimethoxyanilino)-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109245660
5-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109245108
N-(2,4-dimethoxyphenyl)-5-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109245476
N-(1,3-benzodioxol-5-yl)-5-(2,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109245661
5-(3-chloro-4-methoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243447
5-(2,4-dimethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236471
5-(2,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109235293
5-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109245063
5-(4-ethylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242019
N-(2,4-dimethoxyphenyl)-5-(3-fluoroanilino)pyridine-3-carboxamide
CID 109245646

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2,4-dimethoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide (CID 109243459) is 5-(2,4-dimethoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,4-dimethoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2,4-dimethoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide is CCc1ccc(NC(=O)c2cncc(Nc3ccc(OC)cc3OC)c2)cc1.
What is the InChIKey of 5-(2,4-dimethoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide?
The InChIKey is SHTPPMATPKQBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-4-15-5-7-17(8-6-15)25-22(26)16-11-18(14-23-13-16)24-20-10-9-19(27-2)12-21(20)28-3/h5-14,24H,4H2,1-3H3,(H,25,26).
What are the key properties of 5-(2,4-dimethoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide?
5-(2,4-dimethoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109243459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).