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

C34H29F2N3O — CID 22340506

IUPAC6-(4-fluorophenyl)-N-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc2cc(CN3CCC(c4ccc(F)cc4)CC3)ccc2c1)c1ccc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C34H29F2N3O/c35-30-9-3-24(4-10-30)25-15-17-39(18-16-25)22-23-1-2-28-20-32(13-7-27(28)19-23)38-34(40)29-8-14-33(37-21-29)26-5-11-31(36)12-6-26/h1-14,19-21,25H,15-18,22H2,(H,38,40)
InChIKeySZVHJWQIRYGQTK-UHFFFAOYSA-N
MW533.62 g/mol
LogP7.81
Rot. Bonds6

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

6-(4-fluorophenyl)-N-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide (PubChem CID 22340506) has the molecular formula C34H29F2N3O and a molecular weight of 533.62 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide
PubChem CID22340506
Molecular FormulaC34H29F2N3O
Molecular Weight533.62 g/mol
Exact Mass533.23
IUPAC Name6-(4-fluorophenyl)-N-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc2cc(CN3CCC(c4ccc(F)cc4)CC3)ccc2c1)c1ccc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C34H29F2N3O/c35-30-9-3-24(4-10-30)25-15-17-39(18-16-25)22-23-1-2-28-20-32(13-7-27(28)19-23)38-34(40)29-8-14-33(37-21-29)26-5-11-31(36)12-6-26/h1-14,19-21,25H,15-18,22H2,(H,38,40)
InChIKeySZVHJWQIRYGQTK-UHFFFAOYSA-N
XLogP7.81
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.62
LogP ≤ 57.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide (CID 22340506) is 6-(4-fluorophenyl)-N-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide is O=C(Nc1ccc2cc(CN3CCC(c4ccc(F)cc4)CC3)ccc2c1)c1ccc(-c2ccc(F)cc2)nc1.
What is the InChIKey of 6-(4-fluorophenyl)-N-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide?
The InChIKey is SZVHJWQIRYGQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29F2N3O/c35-30-9-3-24(4-10-30)25-15-17-39(18-16-25)22-23-1-2-28-20-32(13-7-27(28)19-23)38-34(40)29-8-14-33(37-21-29)26-5-11-31(36)12-6-26/h1-14,19-21,25H,15-18,22H2,(H,38,40).
What are the key properties of 6-(4-fluorophenyl)-N-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide?
6-(4-fluorophenyl)-N-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide has a molecular weight of 533.62 g/mol, XLogP of 7.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 22340506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).