2-amino-4,6-dibenzyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile

C24H21N3O2 — CID 4207535

IUPAC2-amino-4,6-dibenzyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1Cc1ccccc1)C(Cc1ccccc1)C(C#N)=C(N)O2
InChIInChI=1S/C24H21N3O2/c1-16-12-21-22(24(28)27(16)15-18-10-6-3-7-11-18)19(20(14-25)23(26)29-21)13-17-8-4-2-5-9-17/h2-12,19H,13,15,26H2,1H3
InChIKeySTNZHEJLPBTRDO-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.62
Rot. Bonds4

About 2-amino-4,6-dibenzyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile

2-amino-4,6-dibenzyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 4207535) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-amino-4,6-dibenzyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4,6-dibenzyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID4207535
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name2-amino-4,6-dibenzyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1Cc1ccccc1)C(Cc1ccccc1)C(C#N)=C(N)O2
InChIInChI=1S/C24H21N3O2/c1-16-12-21-22(24(28)27(16)15-18-10-6-3-7-11-18)19(20(14-25)23(26)29-21)13-17-8-4-2-5-9-17/h2-12,19H,13,15,26H2,1H3
InChIKeySTNZHEJLPBTRDO-UHFFFAOYSA-N
XLogP3.62
TPSA81.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dibenzyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4,6-dibenzyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 4207535) is 2-amino-4,6-dibenzyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4,6-dibenzyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4,6-dibenzyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile is Cc1cc2c(c(=O)n1Cc1ccccc1)C(Cc1ccccc1)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-4,6-dibenzyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is STNZHEJLPBTRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-16-12-21-22(24(28)27(16)15-18-10-6-3-7-11-18)19(20(14-25)23(26)29-21)13-17-8-4-2-5-9-17/h2-12,19H,13,15,26H2,1H3.
What are the key properties of 2-amino-4,6-dibenzyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-4,6-dibenzyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 383.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dibenzyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 4207535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).