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

C22H23N3O — CID 109209976

IUPAC4-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(Nc2ccnc(C(=O)NCc3ccccc3C)c2)cc1C
InChIInChI=1S/C22H23N3O/c1-15-8-9-19(12-17(15)3)25-20-10-11-23-21(13-20)22(26)24-14-18-7-5-4-6-16(18)2/h4-13H,14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyGZIBLWFHTUBTDD-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.68
Rot. Bonds5

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

4-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109209976) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
PubChem CID109209976
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name4-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(Nc2ccnc(C(=O)NCc3ccccc3C)c2)cc1C
InChIInChI=1S/C22H23N3O/c1-15-8-9-19(12-17(15)3)25-20-10-11-23-21(13-20)22(26)24-14-18-7-5-4-6-16(18)2/h4-13H,14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyGZIBLWFHTUBTDD-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-(2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109209978
6-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109346955
4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210020
4-[3-(dimethylamino)propylamino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109207893
4-(5-chloro-2-methoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109209990
N-[(2-methylphenyl)methyl]-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109209919
N-[(2-methylphenyl)methyl]-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109209998
N-(2-methoxyethyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109205668
4-(4-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212022
2-(3-chloro-4-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304118
N-(3,4-dimethylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109219004
4-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212009

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide (CID 109209976) is 4-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide is Cc1ccc(Nc2ccnc(C(=O)NCc3ccccc3C)c2)cc1C.
What is the InChIKey of 4-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is GZIBLWFHTUBTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-15-8-9-19(12-17(15)3)25-20-10-11-23-21(13-20)22(26)24-14-18-7-5-4-6-16(18)2/h4-13H,14H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 4-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
4-(3,4-dimethylanilino)-N-[(2-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-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109209976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).