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

C27H23F2N5O — CID 67267257

IUPAC6-(3-fluorophenyl)-N-[1-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2nccc(-c3cccc(F)c3)n2)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C27H23F2N5O/c28-21-5-1-3-18(15-21)24-8-7-20(17-31-24)26(35)32-23-10-13-34(14-11-23)27-30-12-9-25(33-27)19-4-2-6-22(29)16-19/h1-9,12,15-17,23H,10-11,13-14H2,(H,32,35)
InChIKeyQPSPVBNRJWUBGS-UHFFFAOYSA-N
MW471.51 g/mol
LogP4.88
Rot. Bonds5

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

6-(3-fluorophenyl)-N-[1-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 67267257) has the molecular formula C27H23F2N5O and a molecular weight of 471.51 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[1-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[1-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID67267257
Molecular FormulaC27H23F2N5O
Molecular Weight471.51 g/mol
Exact Mass471.19
IUPAC Name6-(3-fluorophenyl)-N-[1-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2nccc(-c3cccc(F)c3)n2)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C27H23F2N5O/c28-21-5-1-3-18(15-21)24-8-7-20(17-31-24)26(35)32-23-10-13-34(14-11-23)27-30-12-9-25(33-27)19-4-2-6-22(29)16-19/h1-9,12,15-17,23H,10-11,13-14H2,(H,32,35)
InChIKeyQPSPVBNRJWUBGS-UHFFFAOYSA-N
XLogP4.88
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 54.88
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-(3-fluorophenyl)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[1-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide (CID 67267257) is 6-(3-fluorophenyl)-N-[1-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[1-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[1-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(c2nccc(-c3cccc(F)c3)n2)CC1)c1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[1-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is QPSPVBNRJWUBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F2N5O/c28-21-5-1-3-18(15-21)24-8-7-20(17-31-24)26(35)32-23-10-13-34(14-11-23)27-30-12-9-25(33-27)19-4-2-6-22(29)16-19/h1-9,12,15-17,23H,10-11,13-14H2,(H,32,35).
What are the key properties of 6-(3-fluorophenyl)-N-[1-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[1-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 471.51 g/mol, XLogP of 4.88, 5 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-(3-fluorophenyl)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67267257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).