2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide

C20H19ClN4O — CID 109171664

IUPAC2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
SMILESCc1cc(C)c(Nc2cc(C(=O)NCc3ccccn3)ccn2)c(Cl)c1
InChIInChI=1S/C20H19ClN4O/c1-13-9-14(2)19(17(21)10-13)25-18-11-15(6-8-23-18)20(26)24-12-16-5-3-4-7-22-16/h3-11H,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyJUOXHGCKQAPHSC-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.42
Rot. Bonds5

About 2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide

2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 109171664) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
PubChem CID109171664
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
SMILESCc1cc(C)c(Nc2cc(C(=O)NCc3ccccn3)ccn2)c(Cl)c1
InChIInChI=1S/C20H19ClN4O/c1-13-9-14(2)19(17(21)10-13)25-18-11-15(6-8-23-18)20(26)24-12-16-5-3-4-7-22-16/h3-11H,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyJUOXHGCKQAPHSC-UHFFFAOYSA-N
XLogP4.42
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171754
5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109283000
2-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109171655
1-N-(pyridin-2-ylmethyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide
CID 109055004
N-(pyridin-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109190941
N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 19224279
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087205
2-(2-phenoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109171700
4-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212742
2-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 53199668
N-(pyridin-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
CID 110767858
1-N-(pyridin-2-ylmethyl)-3-N-sulfanylbenzene-1,3-dicarboxamide
CID 143484238

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide (CID 109171664) is 2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide is Cc1cc(C)c(Nc2cc(C(=O)NCc3ccccn3)ccn2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is JUOXHGCKQAPHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-13-9-14(2)19(17(21)10-13)25-18-11-15(6-8-23-18)20(26)24-12-16-5-3-4-7-22-16/h3-11H,12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide?
2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 109171664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).