N-[3-[[4-(ethylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide

C22H25F3N4O2 — CID 72705224

IUPACN-[3-[[4-(ethylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCNC(=O)C1CCN(Cc2cccc(NC(=O)c3cccc(C(F)(F)F)n3)c2)CC1
InChIInChI=1S/C22H25F3N4O2/c1-2-26-20(30)16-9-11-29(12-10-16)14-15-5-3-6-17(13-15)27-21(31)18-7-4-8-19(28-18)22(23,24)25/h3-8,13,16H,2,9-12,14H2,1H3,(H,26,30)(H,27,31)
InChIKeyBKESTNCJVNVCBY-UHFFFAOYSA-N
MW434.46 g/mol
LogP3.70
Rot. Bonds6

About N-[3-[[4-(ethylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[3-[[4-(ethylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 72705224) has the molecular formula C22H25F3N4O2 and a molecular weight of 434.46 g/mol. Its IUPAC name is N-[3-[[4-(ethylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(ethylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID72705224
Molecular FormulaC22H25F3N4O2
Molecular Weight434.46 g/mol
Exact Mass434.19
IUPAC NameN-[3-[[4-(ethylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCNC(=O)C1CCN(Cc2cccc(NC(=O)c3cccc(C(F)(F)F)n3)c2)CC1
InChIInChI=1S/C22H25F3N4O2/c1-2-26-20(30)16-9-11-29(12-10-16)14-15-5-3-6-17(13-15)27-21(31)18-7-4-8-19(28-18)22(23,24)25/h3-8,13,16H,2,9-12,14H2,1H3,(H,26,30)(H,27,31)
InChIKeyBKESTNCJVNVCBY-UHFFFAOYSA-N
XLogP3.70
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(ethylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-[[4-(ethylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 72705224) is N-[3-[[4-(ethylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[[4-(ethylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-[[4-(ethylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is CCNC(=O)C1CCN(Cc2cccc(NC(=O)c3cccc(C(F)(F)F)n3)c2)CC1.
What is the InChIKey of N-[3-[[4-(ethylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is BKESTNCJVNVCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O2/c1-2-26-20(30)16-9-11-29(12-10-16)14-15-5-3-6-17(13-15)27-21(31)18-7-4-8-19(28-18)22(23,24)25/h3-8,13,16H,2,9-12,14H2,1H3,(H,26,30)(H,27,31).
What are the key properties of N-[3-[[4-(ethylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[3-[[4-(ethylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 434.46 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(ethylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 72705224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).