2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile

C11H13N3O — CID 796275

IUPAC2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
SMILESCC1(C)Cc2nc(N)c(C#N)cc2CO1
InChIInChI=1S/C11H13N3O/c1-11(2)4-9-8(6-15-11)3-7(5-12)10(13)14-9/h3H,4,6H2,1-2H3,(H2,13,14)
InChIKeyCWCCSDZPGHNWRT-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.39
Rot. Bonds

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

2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 796275) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
PubChem CID796275
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
SMILESCC1(C)Cc2nc(N)c(C#N)cc2CO1
InChIInChI=1S/C11H13N3O/c1-11(2)4-9-8(6-15-11)3-7(5-12)10(13)14-9/h3H,4,6H2,1-2H3,(H2,13,14)
InChIKeyCWCCSDZPGHNWRT-UHFFFAOYSA-N
XLogP1.39
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile (CID 796275) is 2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile is CC1(C)Cc2nc(N)c(C#N)cc2CO1.
What is the InChIKey of 2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The InChIKey is CWCCSDZPGHNWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-11(2)4-9-8(6-15-11)3-7(5-12)10(13)14-9/h3H,4,6H2,1-2H3,(H2,13,14).
What are the key properties of 2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 203.24 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 796275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).