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

C21H23N3O2 — CID 666654

IUPAC2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-propan-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1CCc1ccccc1)C(C(C)C)C(C#N)=C(N)O2
InChIInChI=1S/C21H23N3O2/c1-13(2)18-16(12-22)20(23)26-17-11-14(3)24(21(25)19(17)18)10-9-15-7-5-4-6-8-15/h4-8,11,13,18H,9-10,23H2,1-3H3
InChIKeyKUPVBGDOEINQAG-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.23
Rot. Bonds4

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

2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-propan-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 666654) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-propan-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-propan-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID666654
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-propan-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1CCc1ccccc1)C(C(C)C)C(C#N)=C(N)O2
InChIInChI=1S/C21H23N3O2/c1-13(2)18-16(12-22)20(23)26-17-11-14(3)24(21(25)19(17)18)10-9-15-7-5-4-6-8-15/h4-8,11,13,18H,9-10,23H2,1-3H3
InChIKeyKUPVBGDOEINQAG-UHFFFAOYSA-N
XLogP3.23
TPSA81.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-propan-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-propan-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 666654) is 2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-propan-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-propan-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-propan-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile is Cc1cc2c(c(=O)n1CCc1ccccc1)C(C(C)C)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-propan-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is KUPVBGDOEINQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-13(2)18-16(12-22)20(23)26-17-11-14(3)24(21(25)19(17)18)10-9-15-7-5-4-6-8-15/h4-8,11,13,18H,9-10,23H2,1-3H3.
What are the key properties of 2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-propan-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-propan-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 349.43 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-propan-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 666654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).