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

C28H27FN4O2 — CID 67268319

IUPAC6-(3-fluorophenyl)-N-[1-[(6-methoxyquinolin-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1ccc2nccc(CN3CCC(NC(=O)c4ccc(-c5cccc(F)c5)nc4)CC3)c2c1
InChIInChI=1S/C28H27FN4O2/c1-35-24-6-8-27-25(16-24)21(9-12-30-27)18-33-13-10-23(11-14-33)32-28(34)20-5-7-26(31-17-20)19-3-2-4-22(29)15-19/h2-9,12,15-17,23H,10-11,13-14,18H2,1H3,(H,32,34)
InChIKeySVMMNJSKNFXNPB-UHFFFAOYSA-N
MW470.55 g/mol
LogP4.84
Rot. Bonds6

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

6-(3-fluorophenyl)-N-[1-[(6-methoxyquinolin-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 67268319) has the molecular formula C28H27FN4O2 and a molecular weight of 470.55 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[1-[(6-methoxyquinolin-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[1-[(6-methoxyquinolin-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID67268319
Molecular FormulaC28H27FN4O2
Molecular Weight470.55 g/mol
Exact Mass470.21
IUPAC Name6-(3-fluorophenyl)-N-[1-[(6-methoxyquinolin-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1ccc2nccc(CN3CCC(NC(=O)c4ccc(-c5cccc(F)c5)nc4)CC3)c2c1
InChIInChI=1S/C28H27FN4O2/c1-35-24-6-8-27-25(16-24)21(9-12-30-27)18-33-13-10-23(11-14-33)32-28(34)20-5-7-26(31-17-20)19-3-2-4-22(29)15-19/h2-9,12,15-17,23H,10-11,13-14,18H2,1H3,(H,32,34)
InChIKeySVMMNJSKNFXNPB-UHFFFAOYSA-N
XLogP4.84
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[1-[(6-methoxyquinolin-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[1-[(6-methoxyquinolin-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide (CID 67268319) is 6-(3-fluorophenyl)-N-[1-[(6-methoxyquinolin-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[1-[(6-methoxyquinolin-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[1-[(6-methoxyquinolin-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide is COc1ccc2nccc(CN3CCC(NC(=O)c4ccc(-c5cccc(F)c5)nc4)CC3)c2c1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[1-[(6-methoxyquinolin-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is SVMMNJSKNFXNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O2/c1-35-24-6-8-27-25(16-24)21(9-12-30-27)18-33-13-10-23(11-14-33)32-28(34)20-5-7-26(31-17-20)19-3-2-4-22(29)15-19/h2-9,12,15-17,23H,10-11,13-14,18H2,1H3,(H,32,34).
What are the key properties of 6-(3-fluorophenyl)-N-[1-[(6-methoxyquinolin-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[1-[(6-methoxyquinolin-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[1-[(6-methoxyquinolin-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67268319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).