N-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide

C24H28F4N4O2 — CID 118521897

IUPACN-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)C1(F)CCN(Cc2cccc(NC(=O)c3cccc(C(F)(F)F)n3)c2)CC1
InChIInChI=1S/C24H28F4N4O2/c1-22(2,3)31-21(34)23(25)10-12-32(13-11-23)15-16-6-4-7-17(14-16)29-20(33)18-8-5-9-19(30-18)24(26,27)28/h4-9,14H,10-13,15H2,1-3H3,(H,29,33)(H,31,34)
InChIKeyPEHJCEOWKAKYOY-UHFFFAOYSA-N
MW480.51 g/mol
LogP4.57
Rot. Bonds5

About N-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118521897) has the molecular formula C24H28F4N4O2 and a molecular weight of 480.51 g/mol. Its IUPAC name is N-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118521897
Molecular FormulaC24H28F4N4O2
Molecular Weight480.51 g/mol
Exact Mass480.21
IUPAC NameN-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)C1(F)CCN(Cc2cccc(NC(=O)c3cccc(C(F)(F)F)n3)c2)CC1
InChIInChI=1S/C24H28F4N4O2/c1-22(2,3)31-21(34)23(25)10-12-32(13-11-23)15-16-6-4-7-17(14-16)29-20(33)18-8-5-9-19(30-18)24(26,27)28/h4-9,14H,10-13,15H2,1-3H3,(H,29,33)(H,31,34)
InChIKeyPEHJCEOWKAKYOY-UHFFFAOYSA-N
XLogP4.57
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.51
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118521897) is N-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(C)NC(=O)C1(F)CCN(Cc2cccc(NC(=O)c3cccc(C(F)(F)F)n3)c2)CC1.
What is the InChIKey of N-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is PEHJCEOWKAKYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F4N4O2/c1-22(2,3)31-21(34)23(25)10-12-32(13-11-23)15-16-6-4-7-17(14-16)29-20(33)18-8-5-9-19(30-18)24(26,27)28/h4-9,14H,10-13,15H2,1-3H3,(H,29,33)(H,31,34).
What are the key properties of N-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 480.51 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118521897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).