2-(2,5-dichlorophenoxy)-N-[(2,4-dimethylphenyl)methyl]pyridine-3-carboxamide

C21H18Cl2N2O2 — CID 90878947

IUPAC2-(2,5-dichlorophenoxy)-N-[(2,4-dimethylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cccnc2Oc2cc(Cl)ccc2Cl)c(C)c1
InChIInChI=1S/C21H18Cl2N2O2/c1-13-5-6-15(14(2)10-13)12-25-20(26)17-4-3-9-24-21(17)27-19-11-16(22)7-8-18(19)23/h3-11H,12H2,1-2H3,(H,25,26)
InChIKeyGMTGEYSGQDATKO-UHFFFAOYSA-N
MW401.29 g/mol
LogP5.73
Rot. Bonds5

About 2-(2,5-dichlorophenoxy)-N-[(2,4-dimethylphenyl)methyl]pyridine-3-carboxamide

2-(2,5-dichlorophenoxy)-N-[(2,4-dimethylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 90878947) has the molecular formula C21H18Cl2N2O2 and a molecular weight of 401.29 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-[(2,4-dimethylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-[(2,4-dimethylphenyl)methyl]pyridine-3-carboxamide
PubChem CID90878947
Molecular FormulaC21H18Cl2N2O2
Molecular Weight401.29 g/mol
Exact Mass400.07
IUPAC Name2-(2,5-dichlorophenoxy)-N-[(2,4-dimethylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cccnc2Oc2cc(Cl)ccc2Cl)c(C)c1
InChIInChI=1S/C21H18Cl2N2O2/c1-13-5-6-15(14(2)10-13)12-25-20(26)17-4-3-9-24-21(17)27-19-11-16(22)7-8-18(19)23/h3-11H,12H2,1-2H3,(H,25,26)
InChIKeyGMTGEYSGQDATKO-UHFFFAOYSA-N
XLogP5.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.29
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichlorophenoxy)-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 91350937
N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylbenzamide
CID 2446682
2-(2,5-dichlorophenoxy)-N-(2-methoxy-5-methylphenyl)-N-methylpyridine-3-carboxamide
CID 59294517
N-[(2-chlorophenyl)methyl]-2-(2,4-difluorophenoxy)pyridine-3-carboxamide
CID 22612146
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide
CID 9268844
2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 110850721
2-(2,5-dichlorophenoxy)-N-ethyl-N-phenylpyridine-3-carboxamide
CID 46194702
2-(2,4-dichlorophenoxy)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
CID 119514700
2-(2,4-dichlorophenoxy)pyridine-3-carbonyl chloride
CID 170944074
2-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 43364411
N-[(2,4-dichlorophenyl)methyl]-2,4,5-trimethylbenzamide
CID 100708024
N'-[2-(2,5-dichlorophenoxy)acetyl]-2,4-dimethylbenzohydrazide
CID 24563273

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-[(2,4-dimethylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-[(2,4-dimethylphenyl)methyl]pyridine-3-carboxamide (CID 90878947) is 2-(2,5-dichlorophenoxy)-N-[(2,4-dimethylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-[(2,4-dimethylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-[(2,4-dimethylphenyl)methyl]pyridine-3-carboxamide is Cc1ccc(CNC(=O)c2cccnc2Oc2cc(Cl)ccc2Cl)c(C)c1.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-[(2,4-dimethylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is GMTGEYSGQDATKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O2/c1-13-5-6-15(14(2)10-13)12-25-20(26)17-4-3-9-24-21(17)27-19-11-16(22)7-8-18(19)23/h3-11H,12H2,1-2H3,(H,25,26).
What are the key properties of 2-(2,5-dichlorophenoxy)-N-[(2,4-dimethylphenyl)methyl]pyridine-3-carboxamide?
2-(2,5-dichlorophenoxy)-N-[(2,4-dimethylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 401.29 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-[(2,4-dimethylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 90878947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).