N-(2,3-dichlorophenyl)-2-[4-[6-(2-methylimidazol-1-yl)-3-pyridinyl]triazol-1-yl]acetamide

C19H15Cl2N7O — CID 134151189

IUPACN-(2,3-dichlorophenyl)-2-[4-[6-(2-methylimidazol-1-yl)-3-pyridinyl]triazol-1-yl]acetamide
SMILESCc1nccn1-c1ccc(-c2cn(CC(=O)Nc3cccc(Cl)c3Cl)nn2)cn1
InChIInChI=1S/C19H15Cl2N7O/c1-12-22-7-8-28(12)17-6-5-13(9-23-17)16-10-27(26-25-16)11-18(29)24-15-4-2-3-14(20)19(15)21/h2-10H,11H2,1H3,(H,24,29)
InChIKeyFEYQJDCJMVTWIG-UHFFFAOYSA-N
MW428.28 g/mol
LogP3.78
Rot. Bonds5

About N-(2,3-dichlorophenyl)-2-[4-[6-(2-methylimidazol-1-yl)-3-pyridinyl]triazol-1-yl]acetamide

N-(2,3-dichlorophenyl)-2-[4-[6-(2-methylimidazol-1-yl)-3-pyridinyl]triazol-1-yl]acetamide (PubChem CID 134151189) has the molecular formula C19H15Cl2N7O and a molecular weight of 428.28 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[4-[6-(2-methylimidazol-1-yl)-3-pyridinyl]triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[4-[6-(2-methylimidazol-1-yl)-3-pyridinyl]triazol-1-yl]acetamide
PubChem CID134151189
Molecular FormulaC19H15Cl2N7O
Molecular Weight428.28 g/mol
Exact Mass427.07
IUPAC NameN-(2,3-dichlorophenyl)-2-[4-[6-(2-methylimidazol-1-yl)-3-pyridinyl]triazol-1-yl]acetamide
SMILESCc1nccn1-c1ccc(-c2cn(CC(=O)Nc3cccc(Cl)c3Cl)nn2)cn1
InChIInChI=1S/C19H15Cl2N7O/c1-12-22-7-8-28(12)17-6-5-13(9-23-17)16-10-27(26-25-16)11-18(29)24-15-4-2-3-14(20)19(15)21/h2-10H,11H2,1H3,(H,24,29)
InChIKeyFEYQJDCJMVTWIG-UHFFFAOYSA-N
XLogP3.78
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.28
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[4-(Aminomethyl)pyrazol-1-yl]-3-chlorophenyl]-3-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)urea
CID 118540075
2-[4-[3-[[[4-(2,3-Dichlorophenyl)-1,2,4-triazol-3-yl]amino]methyl]-2-pyridinyl]-1,4-diazepan-1-yl]acetamide
CID 16679489
N-(3,4-dichlorophenyl)-1-methyl-4-(pyridin-4-ylmethylamino)-1H-imidazole-5-carboxamide
CID 44439451
(NE)-N-[[1-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]pyrrolo[2,3-b]pyridin-3-yl]methylidene]hydroxylamine
CID 127028508
N-(2,3-dichlorophenyl)-2-[4-[2-fluoro-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide
CID 134133574
N-(2,3-dichlorophenyl)-2-[4-[4-[(2-methylimidazol-1-yl)methyl]phenyl]triazol-1-yl]acetamide
CID 134133761
N-(2,3-dichlorophenyl)-2-[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide
CID 134135307
N-(2,3-dichlorophenyl)-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide
CID 134135453
N-(2,3-dichlorophenyl)-2-methyl-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]propanamide
CID 134141648
N-(2,3-dichlorophenyl)-2-[4-[4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide
CID 134149858
N-(2,3-dichlorophenyl)-2-[4-(4-imidazol-1-ylphenyl)triazol-1-yl]acetamide
CID 134152061
6-Azaspiro[3.4]octan-6-yl-[3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]methanone
CID 162666864

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[4-[6-(2-methylimidazol-1-yl)-3-pyridinyl]triazol-1-yl]acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[4-[6-(2-methylimidazol-1-yl)-3-pyridinyl]triazol-1-yl]acetamide (CID 134151189) is N-(2,3-dichlorophenyl)-2-[4-[6-(2-methylimidazol-1-yl)-3-pyridinyl]triazol-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[4-[6-(2-methylimidazol-1-yl)-3-pyridinyl]triazol-1-yl]acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[4-[6-(2-methylimidazol-1-yl)-3-pyridinyl]triazol-1-yl]acetamide is Cc1nccn1-c1ccc(-c2cn(CC(=O)Nc3cccc(Cl)c3Cl)nn2)cn1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[4-[6-(2-methylimidazol-1-yl)-3-pyridinyl]triazol-1-yl]acetamide?
The InChIKey is FEYQJDCJMVTWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N7O/c1-12-22-7-8-28(12)17-6-5-13(9-23-17)16-10-27(26-25-16)11-18(29)24-15-4-2-3-14(20)19(15)21/h2-10H,11H2,1H3,(H,24,29).
What are the key properties of N-(2,3-dichlorophenyl)-2-[4-[6-(2-methylimidazol-1-yl)-3-pyridinyl]triazol-1-yl]acetamide?
N-(2,3-dichlorophenyl)-2-[4-[6-(2-methylimidazol-1-yl)-3-pyridinyl]triazol-1-yl]acetamide has a molecular weight of 428.28 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[4-[6-(2-methylimidazol-1-yl)-3-pyridinyl]triazol-1-yl]acetamide is sourced from PubChem (CID 134151189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).