N-(4-methylphenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide

C22H23N3O4 — CID 109219259

IUPACN-(4-methylphenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
SMILESCOc1cc(Nc2ccnc(C(=O)Nc3ccc(C)cc3)c2)cc(OC)c1OC
InChIInChI=1S/C22H23N3O4/c1-14-5-7-15(8-6-14)25-22(26)18-11-16(9-10-23-18)24-17-12-19(27-2)21(29-4)20(13-17)28-3/h5-13H,1-4H3,(H,23,24)(H,25,26)
InChIKeyZHGLLXFMPWRUNB-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.41
Rot. Bonds7

About N-(4-methylphenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide

N-(4-methylphenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide (PubChem CID 109219259) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
PubChem CID109219259
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-(4-methylphenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
SMILESCOc1cc(Nc2ccnc(C(=O)Nc3ccc(C)cc3)c2)cc(OC)c1OC
InChIInChI=1S/C22H23N3O4/c1-14-5-7-15(8-6-14)25-22(26)18-11-16(9-10-23-18)24-17-12-19(27-2)21(29-4)20(13-17)28-3/h5-13H,1-4H3,(H,23,24)(H,25,26)
InChIKeyZHGLLXFMPWRUNB-UHFFFAOYSA-N
XLogP4.41
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,5-dimethylanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219210
N-(3-chloro-4-methoxyphenyl)-4-(4-methylanilino)pyridine-2-carboxamide
CID 109219289
N-(3-fluorophenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109222426
4-(3-methoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219226
4-(3,4,5-trimethoxyanilino)pyridine-2-carboxylic acid
CID 146673906
4-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
CID 109222452
N-(4-methylphenyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide
CID 109290089
4-(4-methylanilino)-N-phenylpyridine-2-carboxamide
CID 109218739
4-(3,4-dimethoxyanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109220745
N-(4-acetamidophenyl)-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109221888
N-propyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109201155
4-(4-acetamidoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221861

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide?
The IUPAC name of N-(4-methylphenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide (CID 109219259) is N-(4-methylphenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide is COc1cc(Nc2ccnc(C(=O)Nc3ccc(C)cc3)c2)cc(OC)c1OC.
What is the InChIKey of N-(4-methylphenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide?
The InChIKey is ZHGLLXFMPWRUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-14-5-7-15(8-6-14)25-22(26)18-11-16(9-10-23-18)24-17-12-19(27-2)21(29-4)20(13-17)28-3/h5-13H,1-4H3,(H,23,24)(H,25,26).
What are the key properties of N-(4-methylphenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide?
N-(4-methylphenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109219259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).