N-[4-methyl-3-[1-[6-(methylamino)pyridine-3-carbonyl]piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide

C27H27F3N4O3 — CID 137467019

IUPACN-[4-methyl-3-[1-[6-(methylamino)pyridine-3-carbonyl]piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
SMILESCNc1ccc(C(=O)N2CCC(Oc3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)CC2)cn1
InChIInChI=1S/C27H27F3N4O3/c1-17-6-8-21(33-25(35)18-4-3-5-20(14-18)27(28,29)30)15-23(17)37-22-10-12-34(13-11-22)26(36)19-7-9-24(31-2)32-16-19/h3-9,14-16,22H,10-13H2,1-2H3,(H,31,32)(H,33,35)
InChIKeyFRHXQMLKRUXRFC-UHFFFAOYSA-N
MW512.53 g/mol
LogP5.39
Rot. Bonds6

About N-[4-methyl-3-[1-[6-(methylamino)pyridine-3-carbonyl]piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide

N-[4-methyl-3-[1-[6-(methylamino)pyridine-3-carbonyl]piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 137467019) has the molecular formula C27H27F3N4O3 and a molecular weight of 512.53 g/mol. Its IUPAC name is N-[4-methyl-3-[1-[6-(methylamino)pyridine-3-carbonyl]piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-[1-[6-(methylamino)pyridine-3-carbonyl]piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
PubChem CID137467019
Molecular FormulaC27H27F3N4O3
Molecular Weight512.53 g/mol
Exact Mass512.20
IUPAC NameN-[4-methyl-3-[1-[6-(methylamino)pyridine-3-carbonyl]piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
SMILESCNc1ccc(C(=O)N2CCC(Oc3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)CC2)cn1
InChIInChI=1S/C27H27F3N4O3/c1-17-6-8-21(33-25(35)18-4-3-5-20(14-18)27(28,29)30)15-23(17)37-22-10-12-34(13-11-22)26(36)19-7-9-24(31-2)32-16-19/h3-9,14-16,22H,10-13H2,1-2H3,(H,31,32)(H,33,35)
InChIKeyFRHXQMLKRUXRFC-UHFFFAOYSA-N
XLogP5.39
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.53
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 127044443
[4-[2-methyl-5-(methylamino)phenoxy]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 137466986
3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[1-(thiophene-2-carbonyl)piperidin-4-yl]oxyphenyl]benzamide
CID 139518756
[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 146135225
4,4-difluoro-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]cyclohexane-1-carboxamide
CID 139518773
N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(trifluoromethyl)benzamide
CID 3900992
N-[3-[(5-aminopyrazin-2-yl)methoxy]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 53339174
3-(1-cyanoethyl)-N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]benzamide
CID 139518784
3-[3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-3-oxoprop-1-enyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 155125711
3-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54842854
[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121017487
N-(5-methoxy-3-pyridinyl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 68845366

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[1-[6-(methylamino)pyridine-3-carbonyl]piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methyl-3-[1-[6-(methylamino)pyridine-3-carbonyl]piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide (CID 137467019) is N-[4-methyl-3-[1-[6-(methylamino)pyridine-3-carbonyl]piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-methyl-3-[1-[6-(methylamino)pyridine-3-carbonyl]piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methyl-3-[1-[6-(methylamino)pyridine-3-carbonyl]piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide is CNc1ccc(C(=O)N2CCC(Oc3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)CC2)cn1.
What is the InChIKey of N-[4-methyl-3-[1-[6-(methylamino)pyridine-3-carbonyl]piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is FRHXQMLKRUXRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N4O3/c1-17-6-8-21(33-25(35)18-4-3-5-20(14-18)27(28,29)30)15-23(17)37-22-10-12-34(13-11-22)26(36)19-7-9-24(31-2)32-16-19/h3-9,14-16,22H,10-13H2,1-2H3,(H,31,32)(H,33,35).
What are the key properties of N-[4-methyl-3-[1-[6-(methylamino)pyridine-3-carbonyl]piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?
N-[4-methyl-3-[1-[6-(methylamino)pyridine-3-carbonyl]piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 512.53 g/mol, XLogP of 5.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[1-[6-(methylamino)pyridine-3-carbonyl]piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 137467019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).