2-amino-6,7-dimethyl-5-oxo-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile

C20H21N3O2 — CID 4888550

IUPAC2-amino-6,7-dimethyl-5-oxo-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1C)C(c1ccc(C(C)C)cc1)C(C#N)=C(N)O2
InChIInChI=1S/C20H21N3O2/c1-11(2)13-5-7-14(8-6-13)17-15(10-21)19(22)25-16-9-12(3)23(4)20(24)18(16)17/h5-9,11,17H,22H2,1-4H3
InChIKeyQXQJPEKXYAFSHT-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.04
Rot. Bonds2

About 2-amino-6,7-dimethyl-5-oxo-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile

2-amino-6,7-dimethyl-5-oxo-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 4888550) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-amino-6,7-dimethyl-5-oxo-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6,7-dimethyl-5-oxo-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID4888550
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-amino-6,7-dimethyl-5-oxo-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1C)C(c1ccc(C(C)C)cc1)C(C#N)=C(N)O2
InChIInChI=1S/C20H21N3O2/c1-11(2)13-5-7-14(8-6-13)17-15(10-21)19(22)25-16-9-12(3)23(4)20(24)18(16)17/h5-9,11,17H,22H2,1-4H3
InChIKeyQXQJPEKXYAFSHT-UHFFFAOYSA-N
XLogP3.04
TPSA81.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6,7-dimethyl-5-oxo-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6,7-dimethyl-5-oxo-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 4888550) is 2-amino-6,7-dimethyl-5-oxo-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6,7-dimethyl-5-oxo-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6,7-dimethyl-5-oxo-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile is Cc1cc2c(c(=O)n1C)C(c1ccc(C(C)C)cc1)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-6,7-dimethyl-5-oxo-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is QXQJPEKXYAFSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-11(2)13-5-7-14(8-6-13)17-15(10-21)19(22)25-16-9-12(3)23(4)20(24)18(16)17/h5-9,11,17H,22H2,1-4H3.
What are the key properties of 2-amino-6,7-dimethyl-5-oxo-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-6,7-dimethyl-5-oxo-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 335.41 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6,7-dimethyl-5-oxo-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 4888550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).