5-(2,6-dimethylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide

C22H23N3O — CID 109243006

IUPAC5-(2,6-dimethylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cncc(Nc3c(C)cccc3C)c2)c1
InChIInChI=1S/C22H23N3O/c1-14-8-15(2)10-19(9-14)25-22(26)18-11-20(13-23-12-18)24-21-16(3)6-5-7-17(21)4/h5-13,24H,1-4H3,(H,25,26)
InChIKeyXMJWXFASBMFCNL-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.31
Rot. Bonds4

About 5-(2,6-dimethylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide

5-(2,6-dimethylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide (PubChem CID 109243006) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 5-(2,6-dimethylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,6-dimethylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
PubChem CID109243006
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name5-(2,6-dimethylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cncc(Nc3c(C)cccc3C)c2)c1
InChIInChI=1S/C22H23N3O/c1-14-8-15(2)10-19(9-14)25-22(26)18-11-20(13-23-12-18)24-21-16(3)6-5-7-17(21)4/h5-13,24H,1-4H3,(H,25,26)
InChIKeyXMJWXFASBMFCNL-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-(4-acetylphenyl)-5-(2,6-dimethylanilino)pyridine-3-carboxamide
CID 109243199
5-(2,6-dimethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109243186
5-(2,6-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109243191
5-(4-bromoanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109243019
5-(2,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109243207
5-(2,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109243188
5-(2,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109224826
N-(2,6-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109243122
5-(2,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227724
5-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241831
N-(2-chlorophenyl)-5-(3,5-dimethylanilino)pyridine-3-carboxamide
CID 109243068
N-(2-methoxyphenyl)-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109243927

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2,6-dimethylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide (CID 109243006) is 5-(2,6-dimethylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,6-dimethylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2,6-dimethylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide is Cc1cc(C)cc(NC(=O)c2cncc(Nc3c(C)cccc3C)c2)c1.
What is the InChIKey of 5-(2,6-dimethylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide?
The InChIKey is XMJWXFASBMFCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-14-8-15(2)10-19(9-14)25-22(26)18-11-20(13-23-12-18)24-21-16(3)6-5-7-17(21)4/h5-13,24H,1-4H3,(H,25,26).
What are the key properties of 5-(2,6-dimethylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide?
5-(2,6-dimethylanilino)-N-(3,5-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-(2,6-dimethylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109243006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).