6-(4-methylanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide

C22H23N3O4 — CID 109162280

IUPAC6-(4-methylanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(Nc3ccc(C)cc3)nc2)cc(OC)c1OC
InChIInChI=1S/C22H23N3O4/c1-14-5-8-16(9-6-14)24-20-10-7-15(13-23-20)22(26)25-17-11-18(27-2)21(29-4)19(12-17)28-3/h5-13H,1-4H3,(H,23,24)(H,25,26)
InChIKeyRWDCKNVUFJOEKA-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.41
Rot. Bonds7

About 6-(4-methylanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide

6-(4-methylanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide (PubChem CID 109162280) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 6-(4-methylanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-methylanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
PubChem CID109162280
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name6-(4-methylanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(Nc3ccc(C)cc3)nc2)cc(OC)c1OC
InChIInChI=1S/C22H23N3O4/c1-14-5-8-16(9-6-14)24-20-10-7-15(13-23-20)22(26)25-17-11-18(27-2)21(29-4)19(12-17)28-3/h5-13H,1-4H3,(H,23,24)(H,25,26)
InChIKeyRWDCKNVUFJOEKA-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

N-phenyl-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 109162123
N-(4-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109265747
N-(4-methylphenyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide
CID 109290089
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330
6-(2-methylpropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109151861
methyl 3-[[6-(4-methylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162269
6-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109162615
6-(butan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109152022
N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109164382
N-(3-acetamidophenyl)-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162266
2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016337
6-(4-acetylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109162705

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-methylanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide (CID 109162280) is 6-(4-methylanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-methylanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-methylanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide is COc1cc(NC(=O)c2ccc(Nc3ccc(C)cc3)nc2)cc(OC)c1OC.
What is the InChIKey of 6-(4-methylanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is RWDCKNVUFJOEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-14-5-8-16(9-6-14)24-20-10-7-15(13-23-20)22(26)25-17-11-18(27-2)21(29-4)19(12-17)28-3/h5-13H,1-4H3,(H,23,24)(H,25,26).
What are the key properties of 6-(4-methylanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
6-(4-methylanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-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 6-(4-methylanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109162280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).