3-chloro-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-2-carbonitrile

C15H18ClN3O — CID 84589069

IUPAC3-chloro-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-2-carbonitrile
SMILESN#Cc1nc(NC2CCOC3(CCCC3)C2)ccc1Cl
InChIInChI=1S/C15H18ClN3O/c16-12-3-4-14(19-13(12)10-17)18-11-5-8-20-15(9-11)6-1-2-7-15/h3-4,11H,1-2,5-9H2,(H,18,19)
InChIKeyYBQSCQZRGDHKPP-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.51
Rot. Bonds2

About 3-chloro-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-2-carbonitrile

3-chloro-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-2-carbonitrile (PubChem CID 84589069) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 3-chloro-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-2-carbonitrile
PubChem CID84589069
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name3-chloro-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-2-carbonitrile
SMILESN#Cc1nc(NC2CCOC3(CCCC3)C2)ccc1Cl
InChIInChI=1S/C15H18ClN3O/c16-12-3-4-14(19-13(12)10-17)18-11-5-8-20-15(9-11)6-1-2-7-15/h3-4,11H,1-2,5-9H2,(H,18,19)
InChIKeyYBQSCQZRGDHKPP-UHFFFAOYSA-N
XLogP3.51
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-2-carbonitrile (CID 84589069) is 3-chloro-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-2-carbonitrile is N#Cc1nc(NC2CCOC3(CCCC3)C2)ccc1Cl.
What is the InChIKey of 3-chloro-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-2-carbonitrile?
The InChIKey is YBQSCQZRGDHKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-12-3-4-14(19-13(12)10-17)18-11-5-8-20-15(9-11)6-1-2-7-15/h3-4,11H,1-2,5-9H2,(H,18,19).
What are the key properties of 3-chloro-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-2-carbonitrile?
3-chloro-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-2-carbonitrile has a molecular weight of 291.78 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 84589069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).