2-(cyclohexylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile

C17H23N3O — CID 817279

IUPAC2-(cyclohexylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
SMILESCC1(C)Cc2nc(NC3CCCCC3)c(C#N)cc2CO1
InChIInChI=1S/C17H23N3O/c1-17(2)9-15-13(11-21-17)8-12(10-18)16(20-15)19-14-6-4-3-5-7-14/h8,14H,3-7,9,11H2,1-2H3,(H,19,20)
InChIKeyNMIPGTKZQFIPIC-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.55
Rot. Bonds2

About 2-(cyclohexylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile

2-(cyclohexylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 817279) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(cyclohexylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(cyclohexylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
PubChem CID817279
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-(cyclohexylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
SMILESCC1(C)Cc2nc(NC3CCCCC3)c(C#N)cc2CO1
InChIInChI=1S/C17H23N3O/c1-17(2)9-15-13(11-21-17)8-12(10-18)16(20-15)19-14-6-4-3-5-7-14/h8,14H,3-7,9,11H2,1-2H3,(H,19,20)
InChIKeyNMIPGTKZQFIPIC-UHFFFAOYSA-N
XLogP3.55
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2-(cyclohexylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile (CID 817279) is 2-(cyclohexylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(cyclohexylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(cyclohexylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile is CC1(C)Cc2nc(NC3CCCCC3)c(C#N)cc2CO1.
What is the InChIKey of 2-(cyclohexylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The InChIKey is NMIPGTKZQFIPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-17(2)9-15-13(11-21-17)8-12(10-18)16(20-15)19-14-6-4-3-5-7-14/h8,14H,3-7,9,11H2,1-2H3,(H,19,20).
What are the key properties of 2-(cyclohexylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
2-(cyclohexylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 285.39 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 817279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).