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

C18H17N3O2 — CID 666721

IUPAC2-amino-4-benzyl-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1C)C(Cc1ccccc1)C(C#N)=C(N)O2
InChIInChI=1S/C18H17N3O2/c1-11-8-15-16(18(22)21(11)2)13(14(10-19)17(20)23-15)9-12-6-4-3-5-7-12/h3-8,13H,9,20H2,1-2H3
InChIKeyHIRSGRKIBRGGJX-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.11
Rot. Bonds2

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

2-amino-4-benzyl-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 666721) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-amino-4-benzyl-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-benzyl-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID666721
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-amino-4-benzyl-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1C)C(Cc1ccccc1)C(C#N)=C(N)O2
InChIInChI=1S/C18H17N3O2/c1-11-8-15-16(18(22)21(11)2)13(14(10-19)17(20)23-15)9-12-6-4-3-5-7-12/h3-8,13H,9,20H2,1-2H3
InChIKeyHIRSGRKIBRGGJX-UHFFFAOYSA-N
XLogP2.11
TPSA81.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-benzyl-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-benzyl-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 666721) is 2-amino-4-benzyl-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-benzyl-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-benzyl-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile is Cc1cc2c(c(=O)n1C)C(Cc1ccccc1)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-4-benzyl-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is HIRSGRKIBRGGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11-8-15-16(18(22)21(11)2)13(14(10-19)17(20)23-15)9-12-6-4-3-5-7-12/h3-8,13H,9,20H2,1-2H3.
What are the key properties of 2-amino-4-benzyl-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-4-benzyl-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 307.35 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-benzyl-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 666721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).