N-[1-[9-[butyl(2,2,2-trifluoroethyl)carbamoyl]-9H-fluoren-1-yl]piperidin-4-yl]-4-phenylpyridine-3-carboxamide

C37H37F3N4O2 — CID 67651841

IUPACN-[1-[9-[butyl(2,2,2-trifluoroethyl)carbamoyl]-9H-fluoren-1-yl]piperidin-4-yl]-4-phenylpyridine-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1c2ccccc2-c2cccc(N3CCC(NC(=O)c4cnccc4-c4ccccc4)CC3)c21
InChIInChI=1S/C37H37F3N4O2/c1-2-3-20-44(24-37(38,39)40)36(46)34-30-13-8-7-12-28(30)29-14-9-15-32(33(29)34)43-21-17-26(18-22-43)42-35(45)31-23-41-19-16-27(31)25-10-5-4-6-11-25/h4-16,19,23,26,34H,2-3,17-18,20-22,24H2,1H3,(H,42,45)
InChIKeySSMLEJUICFYSAL-UHFFFAOYSA-N
MW626.72 g/mol
LogP7.45
Rot. Bonds9

About N-[1-[9-[butyl(2,2,2-trifluoroethyl)carbamoyl]-9H-fluoren-1-yl]piperidin-4-yl]-4-phenylpyridine-3-carboxamide

N-[1-[9-[butyl(2,2,2-trifluoroethyl)carbamoyl]-9H-fluoren-1-yl]piperidin-4-yl]-4-phenylpyridine-3-carboxamide (PubChem CID 67651841) has the molecular formula C37H37F3N4O2 and a molecular weight of 626.72 g/mol. Its IUPAC name is N-[1-[9-[butyl(2,2,2-trifluoroethyl)carbamoyl]-9H-fluoren-1-yl]piperidin-4-yl]-4-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[9-[butyl(2,2,2-trifluoroethyl)carbamoyl]-9H-fluoren-1-yl]piperidin-4-yl]-4-phenylpyridine-3-carboxamide
PubChem CID67651841
Molecular FormulaC37H37F3N4O2
Molecular Weight626.72 g/mol
Exact Mass626.29
IUPAC NameN-[1-[9-[butyl(2,2,2-trifluoroethyl)carbamoyl]-9H-fluoren-1-yl]piperidin-4-yl]-4-phenylpyridine-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1c2ccccc2-c2cccc(N3CCC(NC(=O)c4cnccc4-c4ccccc4)CC3)c21
InChIInChI=1S/C37H37F3N4O2/c1-2-3-20-44(24-37(38,39)40)36(46)34-30-13-8-7-12-28(30)29-14-9-15-32(33(29)34)43-21-17-26(18-22-43)42-35(45)31-23-41-19-16-27(31)25-10-5-4-6-11-25/h4-16,19,23,26,34H,2-3,17-18,20-22,24H2,1H3,(H,42,45)
InChIKeySSMLEJUICFYSAL-UHFFFAOYSA-N
XLogP7.45
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.72
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[9-[butyl(2,2,2-trifluoroethyl)carbamoyl]-9H-fluoren-1-yl]piperidin-4-yl]-4-phenylpyridine-3-carboxamide?
The IUPAC name of N-[1-[9-[butyl(2,2,2-trifluoroethyl)carbamoyl]-9H-fluoren-1-yl]piperidin-4-yl]-4-phenylpyridine-3-carboxamide (CID 67651841) is N-[1-[9-[butyl(2,2,2-trifluoroethyl)carbamoyl]-9H-fluoren-1-yl]piperidin-4-yl]-4-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-[9-[butyl(2,2,2-trifluoroethyl)carbamoyl]-9H-fluoren-1-yl]piperidin-4-yl]-4-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[1-[9-[butyl(2,2,2-trifluoroethyl)carbamoyl]-9H-fluoren-1-yl]piperidin-4-yl]-4-phenylpyridine-3-carboxamide is CCCCN(CC(F)(F)F)C(=O)C1c2ccccc2-c2cccc(N3CCC(NC(=O)c4cnccc4-c4ccccc4)CC3)c21.
What is the InChIKey of N-[1-[9-[butyl(2,2,2-trifluoroethyl)carbamoyl]-9H-fluoren-1-yl]piperidin-4-yl]-4-phenylpyridine-3-carboxamide?
The InChIKey is SSMLEJUICFYSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37F3N4O2/c1-2-3-20-44(24-37(38,39)40)36(46)34-30-13-8-7-12-28(30)29-14-9-15-32(33(29)34)43-21-17-26(18-22-43)42-35(45)31-23-41-19-16-27(31)25-10-5-4-6-11-25/h4-16,19,23,26,34H,2-3,17-18,20-22,24H2,1H3,(H,42,45).
What are the key properties of N-[1-[9-[butyl(2,2,2-trifluoroethyl)carbamoyl]-9H-fluoren-1-yl]piperidin-4-yl]-4-phenylpyridine-3-carboxamide?
N-[1-[9-[butyl(2,2,2-trifluoroethyl)carbamoyl]-9H-fluoren-1-yl]piperidin-4-yl]-4-phenylpyridine-3-carboxamide has a molecular weight of 626.72 g/mol, XLogP of 7.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[9-[butyl(2,2,2-trifluoroethyl)carbamoyl]-9H-fluoren-1-yl]piperidin-4-yl]-4-phenylpyridine-3-carboxamide is sourced from PubChem (CID 67651841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).