N-benzyl-5-(2,3-dimethylanilino)-N-methylpyridine-2-carboxamide

C22H23N3O — CID 109189147

IUPACN-benzyl-5-(2,3-dimethylanilino)-N-methylpyridine-2-carboxamide
SMILESCc1cccc(Nc2ccc(C(=O)N(C)Cc3ccccc3)nc2)c1C
InChIInChI=1S/C22H23N3O/c1-16-8-7-11-20(17(16)2)24-19-12-13-21(23-14-19)22(26)25(3)15-18-9-5-4-6-10-18/h4-14,24H,15H2,1-3H3
InChIKeyPQFAYNYCIOCKDZ-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.71
Rot. Bonds5

About N-benzyl-5-(2,3-dimethylanilino)-N-methylpyridine-2-carboxamide

N-benzyl-5-(2,3-dimethylanilino)-N-methylpyridine-2-carboxamide (PubChem CID 109189147) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-benzyl-5-(2,3-dimethylanilino)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(2,3-dimethylanilino)-N-methylpyridine-2-carboxamide
PubChem CID109189147
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-benzyl-5-(2,3-dimethylanilino)-N-methylpyridine-2-carboxamide
SMILESCc1cccc(Nc2ccc(C(=O)N(C)Cc3ccccc3)nc2)c1C
InChIInChI=1S/C22H23N3O/c1-16-8-7-11-20(17(16)2)24-19-12-13-21(23-14-19)22(26)25(3)15-18-9-5-4-6-10-18/h4-14,24H,15H2,1-3H3
InChIKeyPQFAYNYCIOCKDZ-UHFFFAOYSA-N
XLogP4.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(2,3-dimethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109305166
N-benzyl-5-(2,4-dichloroanilino)-N-methylpyridine-2-carboxamide
CID 109189200
N-benzyl-5-(tert-butylamino)-N-methylpyridine-2-carboxamide
CID 109189123
N-benzyl-5-[2-(dimethylamino)ethylamino]-N-methylpyridine-2-carboxamide
CID 109185471
N-benzyl-N-methyl-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109189121
N-benzyl-5-(2,6-dimethylanilino)-N-methylpyrazine-2-carboxamide
CID 109281079
5-(2,3-dimethylanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195520
6-[benzyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427191
N-benzyl-N-methyl-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109281071
N-benzyl-5-(2,3-dimethylanilino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109287672
N-(2,3-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191893
N-cyclopropyl-5-(2,3-dimethylanilino)pyridine-2-carboxamide
CID 109179934

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(2,3-dimethylanilino)-N-methylpyridine-2-carboxamide?
The IUPAC name of N-benzyl-5-(2,3-dimethylanilino)-N-methylpyridine-2-carboxamide (CID 109189147) is N-benzyl-5-(2,3-dimethylanilino)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(2,3-dimethylanilino)-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(2,3-dimethylanilino)-N-methylpyridine-2-carboxamide is Cc1cccc(Nc2ccc(C(=O)N(C)Cc3ccccc3)nc2)c1C.
What is the InChIKey of N-benzyl-5-(2,3-dimethylanilino)-N-methylpyridine-2-carboxamide?
The InChIKey is PQFAYNYCIOCKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-16-8-7-11-20(17(16)2)24-19-12-13-21(23-14-19)22(26)25(3)15-18-9-5-4-6-10-18/h4-14,24H,15H2,1-3H3.
What are the key properties of N-benzyl-5-(2,3-dimethylanilino)-N-methylpyridine-2-carboxamide?
N-benzyl-5-(2,3-dimethylanilino)-N-methylpyridine-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(2,3-dimethylanilino)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 109189147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).