6-amino-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C12H15N3O — CID 15658320

IUPAC6-amino-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCc1nc(N)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C12H15N3O/c1-7-10-6-16-12(2,3)4-8(10)9(5-13)11(14)15-7/h4,6H2,1-3H3,(H2,14,15)
InChIKeyHCRTVKIGPZWQTM-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.70
Rot. Bonds

About 6-amino-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

6-amino-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 15658320) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 6-amino-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID15658320
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name6-amino-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCc1nc(N)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C12H15N3O/c1-7-10-6-16-12(2,3)4-8(10)9(5-13)11(14)15-7/h4,6H2,1-3H3,(H2,14,15)
InChIKeyHCRTVKIGPZWQTM-UHFFFAOYSA-N
XLogP1.70
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 6-amino-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 15658320) is 6-amino-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 6-amino-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 6-amino-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is Cc1nc(N)c(C#N)c2c1COC(C)(C)C2.
What is the InChIKey of 6-amino-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is HCRTVKIGPZWQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-7-10-6-16-12(2,3)4-8(10)9(5-13)11(14)15-7/h4,6H2,1-3H3,(H2,14,15).
What are the key properties of 6-amino-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
6-amino-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 15658320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).