6-imidazol-1-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide

C19H17F3N4O2 — CID 24666420

IUPAC6-imidazol-1-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(COCC(F)(F)F)cc1)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)12-28-11-15-3-1-14(2-4-15)9-25-18(27)16-5-6-17(24-10-16)26-8-7-23-13-26/h1-8,10,13H,9,11-12H2,(H,25,27)
InChIKeySUXDVWHNUDWONZ-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.28
Rot. Bonds7

About 6-imidazol-1-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide

6-imidazol-1-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 24666420) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-imidazol-1-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID24666420
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name6-imidazol-1-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(COCC(F)(F)F)cc1)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)12-28-11-15-3-1-14(2-4-15)9-25-18(27)16-5-6-17(24-10-16)26-8-7-23-13-26/h1-8,10,13H,9,11-12H2,(H,25,27)
InChIKeySUXDVWHNUDWONZ-UHFFFAOYSA-N
XLogP3.28
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 104862732
N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181
4-pyrrol-1-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 55493467
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 134001794
3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427337
N-(cyclopropylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152532
1-[(4-fluorophenyl)methyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 38205199
6-imidazol-1-yl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
CID 23594782
N-(2-hydroxy-2-propylpentyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 111444790
ethane;6-imidazol-1-yl-N-methylpyridine-3-carboxamide
CID 142231779
2-methylpropan-2-amine;N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrazine-2-carboxamide
CID 171924976
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 38772539

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-imidazol-1-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide (CID 24666420) is 6-imidazol-1-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-imidazol-1-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-imidazol-1-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccc(COCC(F)(F)F)cc1)c1ccc(-n2ccnc2)nc1.
What is the InChIKey of 6-imidazol-1-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is SUXDVWHNUDWONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c20-19(21,22)12-28-11-15-3-1-14(2-4-15)9-25-18(27)16-5-6-17(24-10-16)26-8-7-23-13-26/h1-8,10,13H,9,11-12H2,(H,25,27).
What are the key properties of 6-imidazol-1-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide?
6-imidazol-1-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 390.37 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 24666420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).