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

C24H28F4N4O2 — CID 72704047

IUPACN-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(Cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)ccc2F)CC1
InChIInChI=1S/C24H28F4N4O2/c1-23(2,3)31-21(33)15-9-11-32(12-10-15)14-16-13-17(7-8-18(16)25)29-22(34)19-5-4-6-20(30-19)24(26,27)28/h4-8,13,15H,9-12,14H2,1-3H3,(H,29,34)(H,31,33)
InChIKeyXGYNFAMAMOJDJX-UHFFFAOYSA-N
MW480.51 g/mol
LogP4.62
Rot. Bonds5

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

N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 72704047) has the molecular formula C24H28F4N4O2 and a molecular weight of 480.51 g/mol. Its IUPAC name is N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID72704047
Molecular FormulaC24H28F4N4O2
Molecular Weight480.51 g/mol
Exact Mass480.21
IUPAC NameN-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(Cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)ccc2F)CC1
InChIInChI=1S/C24H28F4N4O2/c1-23(2,3)31-21(33)15-9-11-32(12-10-15)14-16-13-17(7-8-18(16)25)29-22(34)19-5-4-6-20(30-19)24(26,27)28/h4-8,13,15H,9-12,14H2,1-3H3,(H,29,34)(H,31,33)
InChIKeyXGYNFAMAMOJDJX-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
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)piperidin-1-yl]methyl]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 72704047) is N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(C)NC(=O)C1CCN(Cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)ccc2F)CC1.
What is the InChIKey of N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is XGYNFAMAMOJDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F4N4O2/c1-23(2,3)31-21(33)15-9-11-32(12-10-15)14-16-13-17(7-8-18(16)25)29-22(34)19-5-4-6-20(30-19)24(26,27)28/h4-8,13,15H,9-12,14H2,1-3H3,(H,29,34)(H,31,33).
What are the key properties of N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 480.51 g/mol, XLogP of 4.62, 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)piperidin-1-yl]methyl]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 72704047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).