2-(2,5-dichlorophenoxy)-N-(2-methoxy-5-methylphenyl)-N-methylpyridine-3-carboxamide

C21H18Cl2N2O3 — CID 59294517

IUPAC2-(2,5-dichlorophenoxy)-N-(2-methoxy-5-methylphenyl)-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(C)cc1N(C)C(=O)c1cccnc1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C21H18Cl2N2O3/c1-13-6-9-18(27-3)17(11-13)25(2)21(26)15-5-4-10-24-20(15)28-19-12-14(22)7-8-16(19)23/h4-12H,1-3H3
InChIKeySLCRPEBEIYPNNP-UHFFFAOYSA-N
MW417.29 g/mol
LogP5.77
Rot. Bonds5

About 2-(2,5-dichlorophenoxy)-N-(2-methoxy-5-methylphenyl)-N-methylpyridine-3-carboxamide

2-(2,5-dichlorophenoxy)-N-(2-methoxy-5-methylphenyl)-N-methylpyridine-3-carboxamide (PubChem CID 59294517) has the molecular formula C21H18Cl2N2O3 and a molecular weight of 417.29 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-(2-methoxy-5-methylphenyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-(2-methoxy-5-methylphenyl)-N-methylpyridine-3-carboxamide
PubChem CID59294517
Molecular FormulaC21H18Cl2N2O3
Molecular Weight417.29 g/mol
Exact Mass416.07
IUPAC Name2-(2,5-dichlorophenoxy)-N-(2-methoxy-5-methylphenyl)-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(C)cc1N(C)C(=O)c1cccnc1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C21H18Cl2N2O3/c1-13-6-9-18(27-3)17(11-13)25(2)21(26)15-5-4-10-24-20(15)28-19-12-14(22)7-8-16(19)23/h4-12H,1-3H3
InChIKeySLCRPEBEIYPNNP-UHFFFAOYSA-N
XLogP5.77
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.29
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dichlorophenoxy)-N-(4-methoxy-3-pyridinyl)-N-methylpyridine-3-carboxamide
CID 46194847
2-(2,5-dichlorophenoxy)-N-methyl-N-(2-phenylphenyl)pyridine-3-carboxamide
CID 59294533
2-(4-chloro-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 67533760
2-(2,5-dichlorophenoxy)-N-[(2,4-dimethylphenyl)methyl]pyridine-3-carboxamide
CID 90878947
2-(2,5-dichlorophenoxy)-N-ethyl-N-phenylpyridine-3-carboxamide
CID 46194702
2-[[2-(2,4-dichlorophenoxy)pyridine-3-carbonyl]-methylamino]acetic acid
CID 99697568
2-(2,4-dichlorophenoxy)pyridine-3-carbonyl chloride
CID 170944074
N-(2-amino-5-chlorophenyl)-2-methoxy-N-methylbenzamide
CID 107465525
2-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 43364411
(3-chloro-2-pyridinyl)-(2-methoxy-5-methylphenyl)methanone
CID 103443137
N-[5-chloro-2-(dimethylamino)phenyl]-4-(2,5-dichlorophenoxy)-N-methylpyridine-3-carboxamide
CID 53312033
N-(5-chloro-2-methoxyphenyl)-N-methylcarbamoyl chloride
CID 115194462

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-(2-methoxy-5-methylphenyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-(2-methoxy-5-methylphenyl)-N-methylpyridine-3-carboxamide (CID 59294517) is 2-(2,5-dichlorophenoxy)-N-(2-methoxy-5-methylphenyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-(2-methoxy-5-methylphenyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-(2-methoxy-5-methylphenyl)-N-methylpyridine-3-carboxamide is COc1ccc(C)cc1N(C)C(=O)c1cccnc1Oc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-(2-methoxy-5-methylphenyl)-N-methylpyridine-3-carboxamide?
The InChIKey is SLCRPEBEIYPNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O3/c1-13-6-9-18(27-3)17(11-13)25(2)21(26)15-5-4-10-24-20(15)28-19-12-14(22)7-8-16(19)23/h4-12H,1-3H3.
What are the key properties of 2-(2,5-dichlorophenoxy)-N-(2-methoxy-5-methylphenyl)-N-methylpyridine-3-carboxamide?
2-(2,5-dichlorophenoxy)-N-(2-methoxy-5-methylphenyl)-N-methylpyridine-3-carboxamide has a molecular weight of 417.29 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-(2-methoxy-5-methylphenyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 59294517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).