2-[(3R,6R)-1-(5-fluoro-2-pyridin-2-ylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile

C25H23FN4O2 — CID 74222937

IUPAC2-[(3R,6R)-1-(5-fluoro-2-pyridin-2-ylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile
SMILESCc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2cc(F)ccc2-c2ccccn2)C1
InChIInChI=1S/C25H23FN4O2/c1-16-6-8-20(32-24-17(2)18(14-27)10-12-29-24)15-30(16)25(31)22-13-19(26)7-9-21(22)23-5-3-4-11-28-23/h3-5,7,9-13,16,20H,6,8,15H2,1-2H3/t16-,20-/m1/s1
InChIKeyCJFLSOPPFDGIDZ-OXQOHEQNSA-N
MW430.48 g/mol
LogP4.53
Rot. Bonds4

About 2-[(3R,6R)-1-(5-fluoro-2-pyridin-2-ylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile

2-[(3R,6R)-1-(5-fluoro-2-pyridin-2-ylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile (PubChem CID 74222937) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 2-[(3R,6R)-1-(5-fluoro-2-pyridin-2-ylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(3R,6R)-1-(5-fluoro-2-pyridin-2-ylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile
PubChem CID74222937
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name2-[(3R,6R)-1-(5-fluoro-2-pyridin-2-ylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile
SMILESCc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2cc(F)ccc2-c2ccccn2)C1
InChIInChI=1S/C25H23FN4O2/c1-16-6-8-20(32-24-17(2)18(14-27)10-12-29-24)15-30(16)25(31)22-13-19(26)7-9-21(22)23-5-3-4-11-28-23/h3-5,7,9-13,16,20H,6,8,15H2,1-2H3/t16-,20-/m1/s1
InChIKeyCJFLSOPPFDGIDZ-OXQOHEQNSA-N
XLogP4.53
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,6R)-1-(5-fluoro-2-pyridin-2-ylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[(3R,6R)-1-(5-fluoro-2-pyridin-2-ylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile (CID 74222937) is 2-[(3R,6R)-1-(5-fluoro-2-pyridin-2-ylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[(3R,6R)-1-(5-fluoro-2-pyridin-2-ylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[(3R,6R)-1-(5-fluoro-2-pyridin-2-ylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile is Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2cc(F)ccc2-c2ccccn2)C1.
What is the InChIKey of 2-[(3R,6R)-1-(5-fluoro-2-pyridin-2-ylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile?
The InChIKey is CJFLSOPPFDGIDZ-OXQOHEQNSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-16-6-8-20(32-24-17(2)18(14-27)10-12-29-24)15-30(16)25(31)22-13-19(26)7-9-21(22)23-5-3-4-11-28-23/h3-5,7,9-13,16,20H,6,8,15H2,1-2H3/t16-,20-/m1/s1.
What are the key properties of 2-[(3R,6R)-1-(5-fluoro-2-pyridin-2-ylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile?
2-[(3R,6R)-1-(5-fluoro-2-pyridin-2-ylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile has a molecular weight of 430.48 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,6R)-1-(5-fluoro-2-pyridin-2-ylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile is sourced from PubChem (CID 74222937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).