2-(2,6-dichloroanilino)-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide

C22H16Cl2F3N5O — CID 45138442

IUPAC2-(2,6-dichloroanilino)-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)NCc3ccccc3C(F)(F)F)cnc21
InChIInChI=1S/C22H16Cl2F3N5O/c1-32-19-17(30-21(32)31-18-15(23)7-4-8-16(18)24)9-13(11-28-19)20(33)29-10-12-5-2-3-6-14(12)22(25,26)27/h2-9,11H,10H2,1H3,(H,29,33)(H,30,31)
InChIKeyVODWXPLCMVYBGO-UHFFFAOYSA-N
MW494.30 g/mol
LogP5.97
Rot. Bonds5

About 2-(2,6-dichloroanilino)-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide

2-(2,6-dichloroanilino)-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 45138442) has the molecular formula C22H16Cl2F3N5O and a molecular weight of 494.30 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID45138442
Molecular FormulaC22H16Cl2F3N5O
Molecular Weight494.30 g/mol
Exact Mass493.07
IUPAC Name2-(2,6-dichloroanilino)-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)NCc3ccccc3C(F)(F)F)cnc21
InChIInChI=1S/C22H16Cl2F3N5O/c1-32-19-17(30-21(32)31-18-15(23)7-4-8-16(18)24)9-13(11-28-19)20(33)29-10-12-5-2-3-6-14(12)22(25,26)27/h2-9,11H,10H2,1H3,(H,29,33)(H,30,31)
InChIKeyVODWXPLCMVYBGO-UHFFFAOYSA-N
XLogP5.97
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.30
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 89078169
CID 89078169
2-(2,6-dichloroanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 45137973
N-cyclohexyl-2-(2,6-dichloroanilino)-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide
CID 143962077
2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-5-carboxamide
CID 69267793
3-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 62879274
N-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 46517821
1-(2-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 51046194
tert-butyl 5-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]-1,3-dihydroisoindole-2-carboxylate
CID 59536542
2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2-methoxyethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 67376068
1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 35762734
2-(2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 70741479
5-chloro-N-[(2-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55739738

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-(2,6-dichloroanilino)-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 45138442) is 2-(2,6-dichloroanilino)-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-(2,6-dichloroanilino)-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-(2,6-dichloroanilino)-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide is Cn1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)NCc3ccccc3C(F)(F)F)cnc21.
What is the InChIKey of 2-(2,6-dichloroanilino)-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is VODWXPLCMVYBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2F3N5O/c1-32-19-17(30-21(32)31-18-15(23)7-4-8-16(18)24)9-13(11-28-19)20(33)29-10-12-5-2-3-6-14(12)22(25,26)27/h2-9,11H,10H2,1H3,(H,29,33)(H,30,31).
What are the key properties of 2-(2,6-dichloroanilino)-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide?
2-(2,6-dichloroanilino)-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 494.30 g/mol, XLogP of 5.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 45138442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).