N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide

C20H19ClN4O — CID 109171754

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccnc(NCc3ccccn3)c2)c(Cl)c1
InChIInChI=1S/C20H19ClN4O/c1-13-9-14(2)19(17(21)10-13)25-20(26)15-6-8-23-18(11-15)24-12-16-5-3-4-7-22-16/h3-11H,12H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyBICAIWJALUTIKZ-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.61
Rot. Bonds5

About N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide (PubChem CID 109171754) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
PubChem CID109171754
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccnc(NCc3ccccn3)c2)c(Cl)c1
InChIInChI=1S/C20H19ClN4O/c1-13-9-14(2)19(17(21)10-13)25-20(26)15-6-8-23-18(11-15)24-12-16-5-3-4-7-22-16/h3-11H,12H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyBICAIWJALUTIKZ-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109171664
N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171792
N-(4-acetamidophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171770
N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 19224279
N-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171748
1-N-(pyridin-2-ylmethyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide
CID 109055004
N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171760
N-(2-chloro-6-methylphenyl)-2-(propylamino)pyridine-4-carboxamide
CID 66254887
5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109283000
N-(5-chloro-2-methylphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109349631
N-(2-chloro-4,6-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109158060
N-(4-bromo-2,6-dichlorophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 62166855

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide (CID 109171754) is N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide is Cc1cc(C)c(NC(=O)c2ccnc(NCc3ccccn3)c2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide?
The InChIKey is BICAIWJALUTIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-13-9-14(2)19(17(21)10-13)25-20(26)15-6-8-23-18(11-15)24-12-16-5-3-4-7-22-16/h3-11H,12H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109171754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).