N-(2,3-dimethylphenyl)-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide

C22H24N4O — CID 109214757

IUPACN-(2,3-dimethylphenyl)-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(N(C)CCc3ccncc3)ccn2)c1C
InChIInChI=1S/C22H24N4O/c1-16-5-4-6-20(17(16)2)25-22(27)21-15-19(9-13-24-21)26(3)14-10-18-7-11-23-12-8-18/h4-9,11-13,15H,10,14H2,1-3H3,(H,25,27)
InChIKeyDJVXUZKVJZUGRN-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.02
Rot. Bonds6

About N-(2,3-dimethylphenyl)-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide

N-(2,3-dimethylphenyl)-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide (PubChem CID 109214757) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
PubChem CID109214757
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-(2,3-dimethylphenyl)-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(N(C)CCc3ccncc3)ccn2)c1C
InChIInChI=1S/C22H24N4O/c1-16-5-4-6-20(17(16)2)25-22(27)21-15-19(9-13-24-21)26(3)14-10-18-7-11-23-12-8-18/h4-9,11-13,15H,10,14H2,1-3H3,(H,25,27)
InChIKeyDJVXUZKVJZUGRN-UHFFFAOYSA-N
XLogP4.02
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-difluorophenyl)-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109214812
N-(2,3-dimethylphenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213435
3-N-(2,3-dimethylphenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109106467
N-(2,4-dimethylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109192968
N-cycloheptyl-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109214735
4-amino-N-(2,3-dimethylphenyl)pyridine-2-carboxamide
CID 62156095
4-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide
CID 109214742
N-(3-chloro-2-methylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109260714
N-[2-(2-methoxyphenyl)ethyl]-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109214259
N-(3,5-dimethylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109192971
N-(2,6-dimethylphenyl)-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109331193
N-(4-chloro-2-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109351589

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide (CID 109214757) is N-(2,3-dimethylphenyl)-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide is Cc1cccc(NC(=O)c2cc(N(C)CCc3ccncc3)ccn2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide?
The InChIKey is DJVXUZKVJZUGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16-5-4-6-20(17(16)2)25-22(27)21-15-19(9-13-24-21)26(3)14-10-18-7-11-23-12-8-18/h4-9,11-13,15H,10,14H2,1-3H3,(H,25,27).
What are the key properties of N-(2,3-dimethylphenyl)-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide?
N-(2,3-dimethylphenyl)-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 109214757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).