5-(2,6-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C20H20N4O — CID 109235256

IUPAC5-(2,6-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1cccc(C)c1Nc1cncc(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C20H20N4O/c1-14-5-3-6-15(2)19(14)24-18-9-17(12-22-13-18)20(25)23-11-16-7-4-8-21-10-16/h3-10,12-13,24H,11H2,1-2H3,(H,23,25)
InChIKeyPZUOCOIYGOYKCE-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.77
Rot. Bonds5

About 5-(2,6-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

5-(2,6-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 109235256) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 5-(2,6-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,6-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID109235256
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name5-(2,6-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1cccc(C)c1Nc1cncc(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C20H20N4O/c1-14-5-3-6-15(2)19(14)24-18-9-17(12-22-13-18)20(25)23-11-16-7-4-8-21-10-16/h3-10,12-13,24H,11H2,1-2H3,(H,23,25)
InChIKeyPZUOCOIYGOYKCE-UHFFFAOYSA-N
XLogP3.77
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(pyridin-3-ylmethyl)-5-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide
CID 109106036
5-(2-methylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109224955
5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 46032131
5-(2,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109224826
5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106065
5-(2,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227724
N-[(4-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109232551
5-(2,5-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109235330
5-N-(3-chloro-4-methylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106049
N-[(4-fluorophenyl)methyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide
CID 109233596
5-(2,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109235293
5-N-(2,6-difluorophenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106084

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2,6-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 109235256) is 5-(2,6-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,6-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2,6-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is Cc1cccc(C)c1Nc1cncc(C(=O)NCc2cccnc2)c1.
What is the InChIKey of 5-(2,6-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is PZUOCOIYGOYKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-5-3-6-15(2)19(14)24-18-9-17(12-22-13-18)20(25)23-11-16-7-4-8-21-10-16/h3-10,12-13,24H,11H2,1-2H3,(H,23,25).
What are the key properties of 5-(2,6-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
5-(2,6-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109235256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).