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

C18H19N3O — CID 799288

IUPAC2-(benzylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
SMILESCC1(C)Cc2nc(NCc3ccccc3)c(C#N)cc2CO1
InChIInChI=1S/C18H19N3O/c1-18(2)9-16-15(12-22-18)8-14(10-19)17(21-16)20-11-13-6-4-3-5-7-13/h3-8H,9,11-12H2,1-2H3,(H,20,21)
InChIKeySSGXDDPQSRMYBT-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.42
Rot. Bonds3

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

2-(benzylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 799288) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(benzylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(benzylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
PubChem CID799288
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-(benzylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
SMILESCC1(C)Cc2nc(NCc3ccccc3)c(C#N)cc2CO1
InChIInChI=1S/C18H19N3O/c1-18(2)9-16-15(12-22-18)8-14(10-19)17(21-16)20-11-13-6-4-3-5-7-13/h3-8H,9,11-12H2,1-2H3,(H,20,21)
InChIKeySSGXDDPQSRMYBT-UHFFFAOYSA-N
XLogP3.42
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2-(benzylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile (CID 799288) is 2-(benzylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(benzylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(benzylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile is CC1(C)Cc2nc(NCc3ccccc3)c(C#N)cc2CO1.
What is the InChIKey of 2-(benzylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The InChIKey is SSGXDDPQSRMYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-18(2)9-16-15(12-22-18)8-14(10-19)17(21-16)20-11-13-6-4-3-5-7-13/h3-8H,9,11-12H2,1-2H3,(H,20,21).
What are the key properties of 2-(benzylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
2-(benzylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 293.37 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 799288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).