N-cyclohexyl-5-[(2,6-dichlorophenoxy)methyl]-N-methylpyridine-3-carboxamide

C20H22Cl2N2O2 — CID 58211585

IUPACN-cyclohexyl-5-[(2,6-dichlorophenoxy)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1cncc(COc2c(Cl)cccc2Cl)c1)C1CCCCC1
InChIInChI=1S/C20H22Cl2N2O2/c1-24(16-6-3-2-4-7-16)20(25)15-10-14(11-23-12-15)13-26-19-17(21)8-5-9-18(19)22/h5,8-12,16H,2-4,6-7,13H2,1H3
InChIKeyZMWJTZNOISTTPK-UHFFFAOYSA-N
MW393.31 g/mol
LogP5.37
Rot. Bonds5

About N-cyclohexyl-5-[(2,6-dichlorophenoxy)methyl]-N-methylpyridine-3-carboxamide

N-cyclohexyl-5-[(2,6-dichlorophenoxy)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 58211585) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is N-cyclohexyl-5-[(2,6-dichlorophenoxy)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[(2,6-dichlorophenoxy)methyl]-N-methylpyridine-3-carboxamide
PubChem CID58211585
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC NameN-cyclohexyl-5-[(2,6-dichlorophenoxy)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1cncc(COc2c(Cl)cccc2Cl)c1)C1CCCCC1
InChIInChI=1S/C20H22Cl2N2O2/c1-24(16-6-3-2-4-7-16)20(25)15-10-14(11-23-12-15)13-26-19-17(21)8-5-9-18(19)22/h5,8-12,16H,2-4,6-7,13H2,1H3
InChIKeyZMWJTZNOISTTPK-UHFFFAOYSA-N
XLogP5.37
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.31
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[(2,6-dichlorophenoxy)methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-[(2,6-dichlorophenoxy)methyl]-N-methylpyridine-3-carboxamide (CID 58211585) is N-cyclohexyl-5-[(2,6-dichlorophenoxy)methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-[(2,6-dichlorophenoxy)methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-[(2,6-dichlorophenoxy)methyl]-N-methylpyridine-3-carboxamide is CN(C(=O)c1cncc(COc2c(Cl)cccc2Cl)c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-5-[(2,6-dichlorophenoxy)methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is ZMWJTZNOISTTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-24(16-6-3-2-4-7-16)20(25)15-10-14(11-23-12-15)13-26-19-17(21)8-5-9-18(19)22/h5,8-12,16H,2-4,6-7,13H2,1H3.
What are the key properties of N-cyclohexyl-5-[(2,6-dichlorophenoxy)methyl]-N-methylpyridine-3-carboxamide?
N-cyclohexyl-5-[(2,6-dichlorophenoxy)methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 393.31 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[(2,6-dichlorophenoxy)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 58211585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).