6-imidazol-1-yl-4-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide

C18H16F3N5O3 — CID 166481283

IUPAC6-imidazol-1-yl-4-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide
SMILESCOCCOc1cc(C(=O)Nc2ccnc(C(F)(F)F)c2)nc(-n2ccnc2)c1
InChIInChI=1S/C18H16F3N5O3/c1-28-6-7-29-13-9-14(25-16(10-13)26-5-4-22-11-26)17(27)24-12-2-3-23-15(8-12)18(19,20)21/h2-5,8-11H,6-7H2,1H3,(H,23,24,27)
InChIKeyXFMIWSULFWGTQF-UHFFFAOYSA-N
MW407.35 g/mol
LogP2.96
Rot. Bonds7

About 6-imidazol-1-yl-4-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide

6-imidazol-1-yl-4-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide (PubChem CID 166481283) has the molecular formula C18H16F3N5O3 and a molecular weight of 407.35 g/mol. Its IUPAC name is 6-imidazol-1-yl-4-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-imidazol-1-yl-4-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide
PubChem CID166481283
Molecular FormulaC18H16F3N5O3
Molecular Weight407.35 g/mol
Exact Mass407.12
IUPAC Name6-imidazol-1-yl-4-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide
SMILESCOCCOc1cc(C(=O)Nc2ccnc(C(F)(F)F)c2)nc(-n2ccnc2)c1
InChIInChI=1S/C18H16F3N5O3/c1-28-6-7-29-13-9-14(25-16(10-13)26-5-4-22-11-26)17(27)24-12-2-3-23-15(8-12)18(19,20)21/h2-5,8-11H,6-7H2,1H3,(H,23,24,27)
InChIKeyXFMIWSULFWGTQF-UHFFFAOYSA-N
XLogP2.96
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-imidazol-1-yl-2-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 169005996
6-(2-hydroxy-2-methylpropoxy)-2-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 169005991
6-(2-methoxyethoxy)-2-(1-methylimidazol-2-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 169005985
2-imidazol-1-yl-N-pyridin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 170774168
3-[5-(hydroxymethyl)imidazol-1-yl]-5-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
CID 171566301
6-imidazol-1-yl-N-[3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 166208133
2-chloro-6-methoxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 163252999
ethyl 3-[3-(2-methoxyethoxy)-5-[[2-(trifluoromethyl)-4-pyridinyl]carbamoyl]phenyl]imidazole-4-carboxylate
CID 171566284
N-(3,4-difluorophenyl)-6-imidazol-1-ylpyridine-2-carboxamide
CID 166481211
3-imidazol-1-yl-N-(1H-indazol-5-yl)-5-(2-methoxyethoxy)benzamide
CID 171566281
3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
CID 171566330
6-imidazol-1-yl-N-phenylpyridine-2-carboxamide
CID 97260029

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-4-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 6-imidazol-1-yl-4-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide (CID 166481283) is 6-imidazol-1-yl-4-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-imidazol-1-yl-4-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 6-imidazol-1-yl-4-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide is COCCOc1cc(C(=O)Nc2ccnc(C(F)(F)F)c2)nc(-n2ccnc2)c1.
What is the InChIKey of 6-imidazol-1-yl-4-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide?
The InChIKey is XFMIWSULFWGTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O3/c1-28-6-7-29-13-9-14(25-16(10-13)26-5-4-22-11-26)17(27)24-12-2-3-23-15(8-12)18(19,20)21/h2-5,8-11H,6-7H2,1H3,(H,23,24,27).
What are the key properties of 6-imidazol-1-yl-4-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide?
6-imidazol-1-yl-4-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide has a molecular weight of 407.35 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-4-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 166481283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).