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

C28H26FN5O — CID 67268686

IUPAC6-(3-fluorophenyl)-N-[1-[(4-pyrimidin-2-ylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(-c3ncccn3)cc2)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C28H26FN5O/c29-24-4-1-3-22(17-24)26-10-9-23(18-32-26)28(35)33-25-11-15-34(16-12-25)19-20-5-7-21(8-6-20)27-30-13-2-14-31-27/h1-10,13-14,17-18,25H,11-12,15-16,19H2,(H,33,35)
InChIKeyNDMIQBBCQBREMG-UHFFFAOYSA-N
MW467.55 g/mol
LogP4.74
Rot. Bonds6

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

6-(3-fluorophenyl)-N-[1-[(4-pyrimidin-2-ylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 67268686) has the molecular formula C28H26FN5O and a molecular weight of 467.55 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[1-[(4-pyrimidin-2-ylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[1-[(4-pyrimidin-2-ylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID67268686
Molecular FormulaC28H26FN5O
Molecular Weight467.55 g/mol
Exact Mass467.21
IUPAC Name6-(3-fluorophenyl)-N-[1-[(4-pyrimidin-2-ylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(-c3ncccn3)cc2)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C28H26FN5O/c29-24-4-1-3-22(17-24)26-10-9-23(18-32-26)28(35)33-25-11-15-34(16-12-25)19-20-5-7-21(8-6-20)27-30-13-2-14-31-27/h1-10,13-14,17-18,25H,11-12,15-16,19H2,(H,33,35)
InChIKeyNDMIQBBCQBREMG-UHFFFAOYSA-N
XLogP4.74
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 54.74
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-[(4-pyrimidin-2-ylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[1-[(4-pyrimidin-2-ylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide (CID 67268686) is 6-(3-fluorophenyl)-N-[1-[(4-pyrimidin-2-ylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[1-[(4-pyrimidin-2-ylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[1-[(4-pyrimidin-2-ylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(Cc2ccc(-c3ncccn3)cc2)CC1)c1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[1-[(4-pyrimidin-2-ylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is NDMIQBBCQBREMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O/c29-24-4-1-3-22(17-24)26-10-9-23(18-32-26)28(35)33-25-11-15-34(16-12-25)19-20-5-7-21(8-6-20)27-30-13-2-14-31-27/h1-10,13-14,17-18,25H,11-12,15-16,19H2,(H,33,35).
What are the key properties of 6-(3-fluorophenyl)-N-[1-[(4-pyrimidin-2-ylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[1-[(4-pyrimidin-2-ylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 467.55 g/mol, XLogP of 4.74, 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-[(4-pyrimidin-2-ylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67268686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).