4-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide

C22H23N3O — CID 109210217

IUPAC4-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(Nc3c(C)cccc3C)ccn2)c1
InChIInChI=1S/C22H23N3O/c1-15-6-4-9-18(12-15)14-24-22(26)20-13-19(10-11-23-20)25-21-16(2)7-5-8-17(21)3/h4-13H,14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyHXDYOOHGJYCZEL-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.68
Rot. Bonds5

About 4-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide

4-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109210217) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
PubChem CID109210217
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name4-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(Nc3c(C)cccc3C)ccn2)c1
InChIInChI=1S/C22H23N3O/c1-15-6-4-9-18(12-15)14-24-22(26)20-13-19(10-11-23-20)25-21-16(2)7-5-8-17(21)3/h4-13H,14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyHXDYOOHGJYCZEL-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

4-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 62179336
5-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188428
4-(2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109209978
4-(2,6-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212185
4-(4-ethoxyanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210235
N-butyl-4-(2,6-dimethylanilino)pyridine-2-carboxamide
CID 109202562
N-benzyl-4-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109209680
4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 5289109
4-[2-(4-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210175
N-[(4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210281
4-(diethylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210192
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 47297279

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide (CID 109210217) is 4-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide is Cc1cccc(CNC(=O)c2cc(Nc3c(C)cccc3C)ccn2)c1.
What is the InChIKey of 4-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is HXDYOOHGJYCZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-15-6-4-9-18(12-15)14-24-22(26)20-13-19(10-11-23-20)25-21-16(2)7-5-8-17(21)3/h4-13H,14H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 4-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?
4-(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 4-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109210217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).