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

C21H14Cl2F3N5O — CID 45137973

IUPAC2-(2,6-dichloroanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1cc2nc(Nc3c(Cl)cccc3Cl)[nH]c2cn1
InChIInChI=1S/C21H14Cl2F3N5O/c22-13-6-3-7-14(23)18(13)31-20-29-15-8-16(27-10-17(15)30-20)19(32)28-9-11-4-1-2-5-12(11)21(24,25)26/h1-8,10H,9H2,(H,28,32)(H2,29,30,31)
InChIKeyFCBCESSBDIUGJH-UHFFFAOYSA-N
MW480.28 g/mol
LogP5.96
Rot. Bonds5

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

2-(2,6-dichloroanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 45137973) has the molecular formula C21H14Cl2F3N5O and a molecular weight of 480.28 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID45137973
Molecular FormulaC21H14Cl2F3N5O
Molecular Weight480.28 g/mol
Exact Mass479.05
IUPAC Name2-(2,6-dichloroanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1cc2nc(Nc3c(Cl)cccc3Cl)[nH]c2cn1
InChIInChI=1S/C21H14Cl2F3N5O/c22-13-6-3-7-14(23)18(13)31-20-29-15-8-16(27-10-17(15)30-20)19(32)28-9-11-4-1-2-5-12(11)21(24,25)26/h1-8,10H,9H2,(H,28,32)(H2,29,30,31)
InChIKeyFCBCESSBDIUGJH-UHFFFAOYSA-N
XLogP5.96
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.28
LogP ≤ 55.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone
CID 90793369
2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 67327957
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
2-(2,6-dichloroanilino)-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 45138442
N-(4-cyclopropyl-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 45137822
2-(2,6-dichloroanilino)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-3H-benzimidazole-5-carboxamide
CID 67231867
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
CID 87318781
5-(furan-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 39854407
3-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 62879274
5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 86166953
3-(3-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 46920548
2-(2,6-dichloroanilino)-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide
CID 70897211

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of 2-(2,6-dichloroanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 45137973) is 2-(2,6-dichloroanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for 2-(2,6-dichloroanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for 2-(2,6-dichloroanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide is O=C(NCc1ccccc1C(F)(F)F)c1cc2nc(Nc3c(Cl)cccc3Cl)[nH]c2cn1.
What is the InChIKey of 2-(2,6-dichloroanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is FCBCESSBDIUGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2F3N5O/c22-13-6-3-7-14(23)18(13)31-20-29-15-8-16(27-10-17(15)30-20)19(32)28-9-11-4-1-2-5-12(11)21(24,25)26/h1-8,10H,9H2,(H,28,32)(H2,29,30,31).
What are the key properties of 2-(2,6-dichloroanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide?
2-(2,6-dichloroanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 480.28 g/mol, XLogP of 5.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 45137973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).