4-(2,4-dimethoxyanilino)-N-ethyl-N-phenylpyridine-2-carboxamide

C22H23N3O3 — CID 109220278

IUPAC4-(2,4-dimethoxyanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
SMILESCCN(C(=O)c1cc(Nc2ccc(OC)cc2OC)ccn1)c1ccccc1
InChIInChI=1S/C22H23N3O3/c1-4-25(17-8-6-5-7-9-17)22(26)20-14-16(12-13-23-20)24-19-11-10-18(27-2)15-21(19)28-3/h5-15H,4H2,1-3H3,(H,23,24)
InChIKeyXQIJXRGAPMKUDT-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.51
Rot. Bonds7

About 4-(2,4-dimethoxyanilino)-N-ethyl-N-phenylpyridine-2-carboxamide

4-(2,4-dimethoxyanilino)-N-ethyl-N-phenylpyridine-2-carboxamide (PubChem CID 109220278) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-(2,4-dimethoxyanilino)-N-ethyl-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,4-dimethoxyanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
PubChem CID109220278
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name4-(2,4-dimethoxyanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
SMILESCCN(C(=O)c1cc(Nc2ccc(OC)cc2OC)ccn1)c1ccccc1
InChIInChI=1S/C22H23N3O3/c1-4-25(17-8-6-5-7-9-17)22(26)20-14-16(12-13-23-20)24-19-11-10-18(27-2)15-21(19)28-3/h5-15H,4H2,1-3H3,(H,23,24)
InChIKeyXQIJXRGAPMKUDT-UHFFFAOYSA-N
XLogP4.51
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-[ethyl(phenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109220287
4-anilino-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109218846
2-N-ethyl-4-N-(2-methoxyphenyl)-2-N-phenylpyridine-2,4-dicarboxamide
CID 109092376
4-(3,4-difluoroanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109220308
4-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109220005
6-(2,4-dimethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109129690
6-(3,4-dimethoxyanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109357478
N-ethyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213681
5-(2,4-dimethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109245667
[4-(2,4-dimethoxyanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109222011
N-ethyl-4-[2-(2-methoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109214380
N-(2,5-dimethoxyphenyl)-4-(2-ethylanilino)pyridine-2-carboxamide
CID 109220169

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyanilino)-N-ethyl-N-phenylpyridine-2-carboxamide?
The IUPAC name of 4-(2,4-dimethoxyanilino)-N-ethyl-N-phenylpyridine-2-carboxamide (CID 109220278) is 4-(2,4-dimethoxyanilino)-N-ethyl-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 4-(2,4-dimethoxyanilino)-N-ethyl-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 4-(2,4-dimethoxyanilino)-N-ethyl-N-phenylpyridine-2-carboxamide is CCN(C(=O)c1cc(Nc2ccc(OC)cc2OC)ccn1)c1ccccc1.
What is the InChIKey of 4-(2,4-dimethoxyanilino)-N-ethyl-N-phenylpyridine-2-carboxamide?
The InChIKey is XQIJXRGAPMKUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-4-25(17-8-6-5-7-9-17)22(26)20-14-16(12-13-23-20)24-19-11-10-18(27-2)15-21(19)28-3/h5-15H,4H2,1-3H3,(H,23,24).
What are the key properties of 4-(2,4-dimethoxyanilino)-N-ethyl-N-phenylpyridine-2-carboxamide?
4-(2,4-dimethoxyanilino)-N-ethyl-N-phenylpyridine-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyanilino)-N-ethyl-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 109220278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).