N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide

C22H17Cl2N5O3 — CID 112831271

IUPACN-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCOc1ccc(-n2nnc(C(=O)Nc3ccccc3Oc3ncc(Cl)cc3Cl)c2C)cc1
InChIInChI=1S/C22H17Cl2N5O3/c1-13-20(27-28-29(13)15-7-9-16(31-2)10-8-15)21(30)26-18-5-3-4-6-19(18)32-22-17(24)11-14(23)12-25-22/h3-12H,1-2H3,(H,26,30)
InChIKeyZBGFJVQDPIKSGY-UHFFFAOYSA-N
MW470.32 g/mol
LogP5.33
Rot. Bonds6

About N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide

N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 112831271) has the molecular formula C22H17Cl2N5O3 and a molecular weight of 470.32 g/mol. Its IUPAC name is N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
PubChem CID112831271
Molecular FormulaC22H17Cl2N5O3
Molecular Weight470.32 g/mol
Exact Mass469.07
IUPAC NameN-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCOc1ccc(-n2nnc(C(=O)Nc3ccccc3Oc3ncc(Cl)cc3Cl)c2C)cc1
InChIInChI=1S/C22H17Cl2N5O3/c1-13-20(27-28-29(13)15-7-9-16(31-2)10-8-15)21(30)26-18-5-3-4-6-19(18)32-22-17(24)11-14(23)12-25-22/h3-12H,1-2H3,(H,26,30)
InChIKeyZBGFJVQDPIKSGY-UHFFFAOYSA-N
XLogP5.33
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.32
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methoxyphenyl)-5-methyl-N-[2-(3-methylphenoxy)phenyl]triazole-4-carboxamide
CID 112821996
1-(4-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 112821981
N-(2-methoxyphenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 7245475
1-(3-chlorophenyl)-N-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 6484735
N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2144859
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2,5-dimethylbenzamide
CID 55729425
2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 60536820
N-(2-benzyl-5-methylpyrazol-3-yl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 112822182
1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 55667186
2-bromo-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-5-fluorobenzamide
CID 112827772
1-(4-fluorophenyl)-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]-5-methyltriazole-4-carboxamide
CID 166327293
1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
CID 6464147

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide (CID 112831271) is N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide is COc1ccc(-n2nnc(C(=O)Nc3ccccc3Oc3ncc(Cl)cc3Cl)c2C)cc1.
What is the InChIKey of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is ZBGFJVQDPIKSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N5O3/c1-13-20(27-28-29(13)15-7-9-16(31-2)10-8-15)21(30)26-18-5-3-4-6-19(18)32-22-17(24)11-14(23)12-25-22/h3-12H,1-2H3,(H,26,30).
What are the key properties of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 470.32 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 112831271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).