8-[benzyl(methyl)amino]-3,3-dimethyl-6-oxo-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile

C19H21N3O2 — CID 69243769

IUPAC8-[benzyl(methyl)amino]-3,3-dimethyl-6-oxo-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
SMILESCN(Cc1ccccc1)c1[nH]c(=O)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C19H21N3O2/c1-19(2)9-14-15(10-20)18(23)21-17(16(14)12-24-19)22(3)11-13-7-5-4-6-8-13/h4-8H,9,11-12H2,1-3H3,(H,21,23)
InChIKeyYMNKOFREICXVPB-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.73
Rot. Bonds3

About 8-[benzyl(methyl)amino]-3,3-dimethyl-6-oxo-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile

8-[benzyl(methyl)amino]-3,3-dimethyl-6-oxo-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 69243769) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 8-[benzyl(methyl)amino]-3,3-dimethyl-6-oxo-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name8-[benzyl(methyl)amino]-3,3-dimethyl-6-oxo-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID69243769
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name8-[benzyl(methyl)amino]-3,3-dimethyl-6-oxo-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
SMILESCN(Cc1ccccc1)c1[nH]c(=O)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C19H21N3O2/c1-19(2)9-14-15(10-20)18(23)21-17(16(14)12-24-19)22(3)11-13-7-5-4-6-8-13/h4-8H,9,11-12H2,1-3H3,(H,21,23)
InChIKeyYMNKOFREICXVPB-UHFFFAOYSA-N
XLogP2.73
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[benzyl(methyl)amino]-3,3-dimethyl-6-oxo-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 8-[benzyl(methyl)amino]-3,3-dimethyl-6-oxo-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CID 69243769) is 8-[benzyl(methyl)amino]-3,3-dimethyl-6-oxo-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 8-[benzyl(methyl)amino]-3,3-dimethyl-6-oxo-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 8-[benzyl(methyl)amino]-3,3-dimethyl-6-oxo-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is CN(Cc1ccccc1)c1[nH]c(=O)c(C#N)c2c1COC(C)(C)C2.
What is the InChIKey of 8-[benzyl(methyl)amino]-3,3-dimethyl-6-oxo-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is YMNKOFREICXVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-19(2)9-14-15(10-20)18(23)21-17(16(14)12-24-19)22(3)11-13-7-5-4-6-8-13/h4-8H,9,11-12H2,1-3H3,(H,21,23).
What are the key properties of 8-[benzyl(methyl)amino]-3,3-dimethyl-6-oxo-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
8-[benzyl(methyl)amino]-3,3-dimethyl-6-oxo-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 323.40 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[benzyl(methyl)amino]-3,3-dimethyl-6-oxo-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 69243769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).