5-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile

C21H19FN6O — CID 134508328

IUPAC5-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile
SMILESN#Cc1ncc(Nc2ncc(-c3cccc(F)c3)cn2)cc1OC1CCCNC1
InChIInChI=1S/C21H19FN6O/c22-16-4-1-3-14(7-16)15-10-26-21(27-11-15)28-17-8-20(19(9-23)25-12-17)29-18-5-2-6-24-13-18/h1,3-4,7-8,10-12,18,24H,2,5-6,13H2,(H,26,27,28)
InChIKeyJSWJLERLQUMRQX-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.42
Rot. Bonds5

About 5-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile

5-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile (PubChem CID 134508328) has the molecular formula C21H19FN6O and a molecular weight of 390.42 g/mol. Its IUPAC name is 5-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile
PubChem CID134508328
Molecular FormulaC21H19FN6O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC Name5-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile
SMILESN#Cc1ncc(Nc2ncc(-c3cccc(F)c3)cn2)cc1OC1CCCNC1
InChIInChI=1S/C21H19FN6O/c22-16-4-1-3-14(7-16)15-10-26-21(27-11-15)28-17-8-20(19(9-23)25-12-17)29-18-5-2-6-24-13-18/h1,3-4,7-8,10-12,18,24H,2,5-6,13H2,(H,26,27,28)
InChIKeyJSWJLERLQUMRQX-UHFFFAOYSA-N
XLogP3.42
TPSA95.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile?
The IUPAC name of 5-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile (CID 134508328) is 5-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile.
What is the SMILES notation for 5-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile?
The canonical SMILES for 5-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile is N#Cc1ncc(Nc2ncc(-c3cccc(F)c3)cn2)cc1OC1CCCNC1.
What is the InChIKey of 5-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile?
The InChIKey is JSWJLERLQUMRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O/c22-16-4-1-3-14(7-16)15-10-26-21(27-11-15)28-17-8-20(19(9-23)25-12-17)29-18-5-2-6-24-13-18/h1,3-4,7-8,10-12,18,24H,2,5-6,13H2,(H,26,27,28).
What are the key properties of 5-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile?
5-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile has a molecular weight of 390.42 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile is sourced from PubChem (CID 134508328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).