6-(1H-imidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C22H22F3N5O2 — CID 167813272

IUPAC6-(1H-imidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCN1CCC(Oc2cc(NC(=O)c3ccc(-c4ncc[nH]4)nc3)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H22F3N5O2/c1-30-8-4-17(5-9-30)32-18-11-15(22(23,24)25)10-16(12-18)29-21(31)14-2-3-19(28-13-14)20-26-6-7-27-20/h2-3,6-7,10-13,17H,4-5,8-9H2,1H3,(H,26,27)(H,29,31)
InChIKeyXBYIFMJPHMAIMX-UHFFFAOYSA-N
MW445.45 g/mol
LogP4.22
Rot. Bonds5

About 6-(1H-imidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide

6-(1H-imidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 167813272) has the molecular formula C22H22F3N5O2 and a molecular weight of 445.45 g/mol. Its IUPAC name is 6-(1H-imidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1H-imidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID167813272
Molecular FormulaC22H22F3N5O2
Molecular Weight445.45 g/mol
Exact Mass445.17
IUPAC Name6-(1H-imidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCN1CCC(Oc2cc(NC(=O)c3ccc(-c4ncc[nH]4)nc3)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H22F3N5O2/c1-30-8-4-17(5-9-30)32-18-11-15(22(23,24)25)10-16(12-18)29-21(31)14-2-3-19(28-13-14)20-26-6-7-27-20/h2-3,6-7,10-13,17H,4-5,8-9H2,1H3,(H,26,27)(H,29,31)
InChIKeyXBYIFMJPHMAIMX-UHFFFAOYSA-N
XLogP4.22
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(1H-imidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide with MolForge

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Related Compounds

1-methyl-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide
CID 167957425
N-[4-[2-fluoro-4-[[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233810
6-(1H-imidazol-2-yl)pyridine-3-carboxylic acid
CID 19864555
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinoxaline-6-carboxamide
CID 131913221
2-chloro-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 87108890
N-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzamide
CID 11700006
N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrrole-2-carboxamide
CID 69071575
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]quinoline-6-carboxamide
CID 118063587
4-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-2-oxo-N-pyridazin-4-yl-1H-pyridine-3-carboxamide
CID 177028287
3,5-dichloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 171152518
[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]urea
CID 175914079
N-[3-(1-methylpiperidin-4-yl)oxy-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-5-pyrazin-2-ylpyrimidin-2-amine
CID 170735998

Frequently Asked Questions

What is the IUPAC name of 6-(1H-imidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(1H-imidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 167813272) is 6-(1H-imidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(1H-imidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(1H-imidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide is CN1CCC(Oc2cc(NC(=O)c3ccc(-c4ncc[nH]4)nc3)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 6-(1H-imidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is XBYIFMJPHMAIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O2/c1-30-8-4-17(5-9-30)32-18-11-15(22(23,24)25)10-16(12-18)29-21(31)14-2-3-19(28-13-14)20-26-6-7-27-20/h2-3,6-7,10-13,17H,4-5,8-9H2,1H3,(H,26,27)(H,29,31).
What are the key properties of 6-(1H-imidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
6-(1H-imidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 445.45 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-imidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 167813272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).