5-(3,4-dimethylanilino)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide

C22H23N3O — CID 109242892

IUPAC5-(3,4-dimethylanilino)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(Nc3ccc(C)c(C)c3)c2)cc1C
InChIInChI=1S/C22H23N3O/c1-14-5-7-19(9-16(14)3)24-21-11-18(12-23-13-21)22(26)25-20-8-6-15(2)17(4)10-20/h5-13,24H,1-4H3,(H,25,26)
InChIKeyGDHDRQIKXMACGG-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.31
Rot. Bonds4

About 5-(3,4-dimethylanilino)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide

5-(3,4-dimethylanilino)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide (PubChem CID 109242892) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 5-(3,4-dimethylanilino)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethylanilino)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
PubChem CID109242892
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name5-(3,4-dimethylanilino)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(Nc3ccc(C)c(C)c3)c2)cc1C
InChIInChI=1S/C22H23N3O/c1-14-5-7-19(9-16(14)3)24-21-11-18(12-23-13-21)22(26)25-20-8-6-15(2)17(4)10-20/h5-13,24H,1-4H3,(H,25,26)
InChIKeyGDHDRQIKXMACGG-UHFFFAOYSA-N
XLogP5.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242104
methyl 3-[[5-[(3,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109242927
N-(3-chloro-4-fluorophenyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide
CID 109242960
5-(3,4-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109243004
N-(3,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109242899
5-(3,4-dimethylanilino)-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109242952
5-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228089
N-(3,4-dimethylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224241
N-(3-acetamidophenyl)-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide
CID 109244893
N-(3,4-dimethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109242937
5-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109242967
3-N-(3,4-dimethylphenyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107846

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylanilino)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3,4-dimethylanilino)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide (CID 109242892) is 5-(3,4-dimethylanilino)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3,4-dimethylanilino)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3,4-dimethylanilino)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cncc(Nc3ccc(C)c(C)c3)c2)cc1C.
What is the InChIKey of 5-(3,4-dimethylanilino)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide?
The InChIKey is GDHDRQIKXMACGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-14-5-7-19(9-16(14)3)24-21-11-18(12-23-13-21)22(26)25-20-8-6-15(2)17(4)10-20/h5-13,24H,1-4H3,(H,25,26).
What are the key properties of 5-(3,4-dimethylanilino)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide?
5-(3,4-dimethylanilino)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 5.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylanilino)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109242892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).