6-(benzylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C19H21N3O — CID 562161

IUPAC6-(benzylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCc1nc(NCc2ccccc2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C19H21N3O/c1-13-17-12-23-19(2,3)9-15(17)16(10-20)18(22-13)21-11-14-7-5-4-6-8-14/h4-8H,9,11-12H2,1-3H3,(H,21,22)
InChIKeyDNYATFFUECWJPI-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.73
Rot. Bonds3

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

6-(benzylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 562161) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 6-(benzylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-(benzylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID562161
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name6-(benzylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCc1nc(NCc2ccccc2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C19H21N3O/c1-13-17-12-23-19(2,3)9-15(17)16(10-20)18(22-13)21-11-14-7-5-4-6-8-14/h4-8H,9,11-12H2,1-3H3,(H,21,22)
InChIKeyDNYATFFUECWJPI-UHFFFAOYSA-N
XLogP3.73
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 6-(benzylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 562161) is 6-(benzylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 6-(benzylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 6-(benzylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is Cc1nc(NCc2ccccc2)c(C#N)c2c1COC(C)(C)C2.
What is the InChIKey of 6-(benzylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is DNYATFFUECWJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13-17-12-23-19(2,3)9-15(17)16(10-20)18(22-13)21-11-14-7-5-4-6-8-14/h4-8H,9,11-12H2,1-3H3,(H,21,22).
What are the key properties of 6-(benzylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
6-(benzylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 307.40 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 562161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).