5-(2,4-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide

C20H20N4O — CID 109190929

IUPAC5-(2,4-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)NCc3ccccn3)nc2)c(C)c1
InChIInChI=1S/C20H20N4O/c1-14-6-8-18(15(2)11-14)24-17-7-9-19(22-13-17)20(25)23-12-16-5-3-4-10-21-16/h3-11,13,24H,12H2,1-2H3,(H,23,25)
InChIKeyKBVHMOLSXFSHIC-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.77
Rot. Bonds5

About 5-(2,4-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide

5-(2,4-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109190929) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 5-(2,4-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2,4-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109190929
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name5-(2,4-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)NCc3ccccn3)nc2)c(C)c1
InChIInChI=1S/C20H20N4O/c1-14-6-8-18(15(2)11-14)24-17-7-9-19(22-13-17)20(25)23-12-16-5-3-4-10-21-16/h3-11,13,24H,12H2,1-2H3,(H,23,25)
InChIKeyKBVHMOLSXFSHIC-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

N-(pyridin-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109190941
5-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190978
5-(3,4-dichloroanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109191005
ethyl 2-[[6-(pyridin-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109191014
N-butyl-5-(2,4-dimethylanilino)pyridine-2-carboxamide
CID 109180715
5-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109191021
5-(2,5-dimethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282974
4-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212781
N-(pyridin-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109191002
6-(4-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120843
5-[4-(diethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190984
5-anilino-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109197061

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(2,4-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (CID 109190929) is 5-(2,4-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(2,4-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(2,4-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is Cc1ccc(Nc2ccc(C(=O)NCc3ccccn3)nc2)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is KBVHMOLSXFSHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-6-8-18(15(2)11-14)24-17-7-9-19(22-13-17)20(25)23-12-16-5-3-4-10-21-16/h3-11,13,24H,12H2,1-2H3,(H,23,25).
What are the key properties of 5-(2,4-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
5-(2,4-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-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-(2,4-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109190929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).