3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide

C32H31F3N4O2 — CID 58396997

IUPAC3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESCCc1cc(-c2cccnc2Oc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCCC3)ccc2C)ccn1
InChIInChI=1S/C32H31F3N4O2/c1-3-25-18-22(13-15-36-25)26-8-7-14-37-31(26)41-29-19-23(10-9-21(29)2)30(40)38-27-20-24(32(33,34)35)11-12-28(27)39-16-5-4-6-17-39/h7-15,18-20H,3-6,16-17H2,1-2H3,(H,38,40)
InChIKeyNTGPLVUCDGMBKV-UHFFFAOYSA-N
MW560.62 g/mol
LogP8.07
Rot. Bonds7

About 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide

3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 58396997) has the molecular formula C32H31F3N4O2 and a molecular weight of 560.62 g/mol. Its IUPAC name is 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
PubChem CID58396997
Molecular FormulaC32H31F3N4O2
Molecular Weight560.62 g/mol
Exact Mass560.24
IUPAC Name3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESCCc1cc(-c2cccnc2Oc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCCC3)ccc2C)ccn1
InChIInChI=1S/C32H31F3N4O2/c1-3-25-18-22(13-15-36-25)26-8-7-14-37-31(26)41-29-19-23(10-9-21(29)2)30(40)38-27-20-24(32(33,34)35)11-12-28(27)39-16-5-4-6-17-39/h7-15,18-20H,3-6,16-17H2,1-2H3,(H,38,40)
InChIKeyNTGPLVUCDGMBKV-UHFFFAOYSA-N
XLogP8.07
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.62
LogP ≤ 58.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide with MolForge

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Related Compounds

Sphinx31
CID 91972002
4-Methyl-3-({3-[2-(Methylamino)pyrimidin-4-Yl]pyridin-2-Yl}oxy)-N-[2-Morpholin-4-Yl-5-(Trifluoromethyl)phenyl]benzamide
CID 16040290
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108986
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(4-(trifluoromethyl)phenyl)benzamide
CID 16108987
4-methyl-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)benzamide
CID 16108989
4-methyl-N-(2-morpholino-5-(trifluoromethyl)phenyl)-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)benzamide
CID 16108990
4-methyl-3-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)benzamide
CID 16108995
2-(Methylamino)pyrimidine 57
CID 16108996
2-(Methylamino)pyrimidine 58
CID 16108997
4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)benzamide
CID 16108998
N-(2-((3-(dimethylamino)propyl)(methyl)amino)-5-(trifluoromethyl)phenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide
CID 16108999
2-fluoro-5-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)benzamide
CID 16109000

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide (CID 58396997) is 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide is CCc1cc(-c2cccnc2Oc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCCC3)ccc2C)ccn1.
What is the InChIKey of 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is NTGPLVUCDGMBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F3N4O2/c1-3-25-18-22(13-15-36-25)26-8-7-14-37-31(26)41-29-19-23(10-9-21(29)2)30(40)38-27-20-24(32(33,34)35)11-12-28(27)39-16-5-4-6-17-39/h7-15,18-20H,3-6,16-17H2,1-2H3,(H,38,40).
What are the key properties of 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide?
3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 560.62 g/mol, XLogP of 8.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 58396997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).