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

C19H18N6O2 — CID 134507992

IUPAC5-[[5-(furan-2-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile
SMILESN#Cc1ncc(Nc2ncc(-c3ccco3)cn2)cc1OC1CCCNC1
InChIInChI=1S/C19H18N6O2/c20-8-16-18(27-15-3-1-5-21-12-15)7-14(11-22-16)25-19-23-9-13(10-24-19)17-4-2-6-26-17/h2,4,6-7,9-11,15,21H,1,3,5,12H2,(H,23,24,25)
InChIKeyXNFAAMNIUXTWQM-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.88
Rot. Bonds5

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

5-[[5-(furan-2-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile (PubChem CID 134507992) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 5-[[5-(furan-2-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-(furan-2-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile
PubChem CID134507992
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name5-[[5-(furan-2-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile
SMILESN#Cc1ncc(Nc2ncc(-c3ccco3)cn2)cc1OC1CCCNC1
InChIInChI=1S/C19H18N6O2/c20-8-16-18(27-15-3-1-5-21-12-15)7-14(11-22-16)25-19-23-9-13(10-24-19)17-4-2-6-26-17/h2,4,6-7,9-11,15,21H,1,3,5,12H2,(H,23,24,25)
InChIKeyXNFAAMNIUXTWQM-UHFFFAOYSA-N
XLogP2.88
TPSA108.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(furan-2-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile?
The IUPAC name of 5-[[5-(furan-2-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile (CID 134507992) is 5-[[5-(furan-2-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile.
What is the SMILES notation for 5-[[5-(furan-2-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile?
The canonical SMILES for 5-[[5-(furan-2-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile is N#Cc1ncc(Nc2ncc(-c3ccco3)cn2)cc1OC1CCCNC1.
What is the InChIKey of 5-[[5-(furan-2-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile?
The InChIKey is XNFAAMNIUXTWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c20-8-16-18(27-15-3-1-5-21-12-15)7-14(11-22-16)25-19-23-9-13(10-24-19)17-4-2-6-26-17/h2,4,6-7,9-11,15,21H,1,3,5,12H2,(H,23,24,25).
What are the key properties of 5-[[5-(furan-2-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile?
5-[[5-(furan-2-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile has a molecular weight of 362.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(furan-2-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile is sourced from PubChem (CID 134507992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).