N-(4-fluorophenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C26H25F4N3O3 — CID 44527564

IUPACN-(4-fluorophenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccccc1C1CCN(c2ccc(C(=O)Nc3ccc(F)cc3)cn2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H24FN3O.C2HF3O2/c1-17-4-2-3-5-22(17)18-12-14-28(15-13-18)23-11-6-19(16-26-23)24(29)27-21-9-7-20(25)8-10-21;3-2(4,5)1(6)7/h2-11,16,18H,12-15H2,1H3,(H,27,29);(H,6,7)
InChIKeyCXNIBUWHPPYUDC-UHFFFAOYSA-N
MW503.50 g/mol
LogP5.80
Rot. Bonds4

About N-(4-fluorophenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

N-(4-fluorophenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 44527564) has the molecular formula C26H25F4N3O3 and a molecular weight of 503.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID44527564
Molecular FormulaC26H25F4N3O3
Molecular Weight503.50 g/mol
Exact Mass503.18
IUPAC NameN-(4-fluorophenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccccc1C1CCN(c2ccc(C(=O)Nc3ccc(F)cc3)cn2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H24FN3O.C2HF3O2/c1-17-4-2-3-5-22(17)18-12-14-28(15-13-18)23-11-6-19(16-26-23)24(29)27-21-9-7-20(25)8-10-21;3-2(4,5)1(6)7/h2-11,16,18H,12-15H2,1H3,(H,27,29);(H,6,7)
InChIKeyCXNIBUWHPPYUDC-UHFFFAOYSA-N
XLogP5.80
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.50
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(4-fluorophenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 44527564) is N-(4-fluorophenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(4-fluorophenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(4-fluorophenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is Cc1ccccc1C1CCN(c2ccc(C(=O)Nc3ccc(F)cc3)cn2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(4-fluorophenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is CXNIBUWHPPYUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O.C2HF3O2/c1-17-4-2-3-5-22(17)18-12-14-28(15-13-18)23-11-6-19(16-26-23)24(29)27-21-9-7-20(25)8-10-21;3-2(4,5)1(6)7/h2-11,16,18H,12-15H2,1H3,(H,27,29);(H,6,7).
What are the key properties of N-(4-fluorophenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
N-(4-fluorophenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 503.50 g/mol, XLogP of 5.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 44527564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).