5-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide

C22H23N3O — CID 109188428

IUPAC5-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc(Nc3c(C)cccc3C)cn2)c1
InChIInChI=1S/C22H23N3O/c1-15-6-4-9-18(12-15)13-24-22(26)20-11-10-19(14-23-20)25-21-16(2)7-5-8-17(21)3/h4-12,14,25H,13H2,1-3H3,(H,24,26)
InChIKeySJSKBPREBZAOLO-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.68
Rot. Bonds5

About 5-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide

5-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109188428) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 5-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
PubChem CID109188428
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name5-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc(Nc3c(C)cccc3C)cn2)c1
InChIInChI=1S/C22H23N3O/c1-15-6-4-9-18(12-15)13-24-22(26)20-11-10-19(14-23-20)25-21-16(2)7-5-8-17(21)3/h4-12,14,25H,13H2,1-3H3,(H,24,26)
InChIKeySJSKBPREBZAOLO-UHFFFAOYSA-N
XLogP4.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188420
4-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210217
N-(2,6-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188543
N-[(4-fluorophenyl)methyl]-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188488
N-[(3-methylphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109188383
5-(2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188662
5-carbamothioyl-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 63748833
N-(pyridin-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109190941
5-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191218
4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 5289109
5-(methylamino)-N-[2-(3-methylphenyl)ethyl]pyridine-2-carboxamide
CID 104641105
N-(3-chloro-4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188558

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide (CID 109188428) is 5-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide is Cc1cccc(CNC(=O)c2ccc(Nc3c(C)cccc3C)cn2)c1.
What is the InChIKey of 5-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is SJSKBPREBZAOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-15-6-4-9-18(12-15)13-24-22(26)20-11-10-19(14-23-20)25-21-16(2)7-5-8-17(21)3/h4-12,14,25H,13H2,1-3H3,(H,24,26).
What are the key properties of 5-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?
5-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.68, 5 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-methylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109188428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).