6-(4-fluorophenyl)-N-[6-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide

C35H32FN3O2 — CID 22340493

IUPAC6-(4-fluorophenyl)-N-[6-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide
SMILESCOc1ccc(C2CCN(Cc3ccc4cc(NC(=O)c5ccc(-c6ccc(F)cc6)nc5)ccc4c3)CC2)cc1
InChIInChI=1S/C35H32FN3O2/c1-41-33-13-7-25(8-14-33)26-16-18-39(19-17-26)23-24-2-3-29-21-32(12-6-28(29)20-24)38-35(40)30-9-15-34(37-22-30)27-4-10-31(36)11-5-27/h2-15,20-22,26H,16-19,23H2,1H3,(H,38,40)
InChIKeySBTHXPALRDZPBS-UHFFFAOYSA-N
MW545.66 g/mol
LogP7.68
Rot. Bonds7

About 6-(4-fluorophenyl)-N-[6-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide

6-(4-fluorophenyl)-N-[6-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide (PubChem CID 22340493) has the molecular formula C35H32FN3O2 and a molecular weight of 545.66 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[6-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[6-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide
PubChem CID22340493
Molecular FormulaC35H32FN3O2
Molecular Weight545.66 g/mol
Exact Mass545.25
IUPAC Name6-(4-fluorophenyl)-N-[6-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide
SMILESCOc1ccc(C2CCN(Cc3ccc4cc(NC(=O)c5ccc(-c6ccc(F)cc6)nc5)ccc4c3)CC2)cc1
InChIInChI=1S/C35H32FN3O2/c1-41-33-13-7-25(8-14-33)26-16-18-39(19-17-26)23-24-2-3-29-21-32(12-6-28(29)20-24)38-35(40)30-9-15-34(37-22-30)27-4-10-31(36)11-5-27/h2-15,20-22,26H,16-19,23H2,1H3,(H,38,40)
InChIKeySBTHXPALRDZPBS-UHFFFAOYSA-N
XLogP7.68
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.66
LogP ≤ 57.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[6-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-[6-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide (CID 22340493) is 6-(4-fluorophenyl)-N-[6-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[6-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-[6-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide is COc1ccc(C2CCN(Cc3ccc4cc(NC(=O)c5ccc(-c6ccc(F)cc6)nc5)ccc4c3)CC2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-N-[6-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide?
The InChIKey is SBTHXPALRDZPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32FN3O2/c1-41-33-13-7-25(8-14-33)26-16-18-39(19-17-26)23-24-2-3-29-21-32(12-6-28(29)20-24)38-35(40)30-9-15-34(37-22-30)27-4-10-31(36)11-5-27/h2-15,20-22,26H,16-19,23H2,1H3,(H,38,40).
What are the key properties of 6-(4-fluorophenyl)-N-[6-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide?
6-(4-fluorophenyl)-N-[6-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide has a molecular weight of 545.66 g/mol, XLogP of 7.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[6-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 22340493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).