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

C15H19N3O2 — CID 4891512

IUPAC2-amino-6-ethyl-7-methyl-5-oxo-4-propan-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCn1c(C)cc2c(c1=O)C(C(C)C)C(C#N)=C(N)O2
InChIInChI=1S/C15H19N3O2/c1-5-18-9(4)6-11-13(15(18)19)12(8(2)3)10(7-16)14(17)20-11/h6,8,12H,5,17H2,1-4H3
InChIKeyNLUVZJRHZDJFIB-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.00
Rot. Bonds2

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

2-amino-6-ethyl-7-methyl-5-oxo-4-propan-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 4891512) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-amino-6-ethyl-7-methyl-5-oxo-4-propan-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-ethyl-7-methyl-5-oxo-4-propan-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID4891512
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-amino-6-ethyl-7-methyl-5-oxo-4-propan-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCn1c(C)cc2c(c1=O)C(C(C)C)C(C#N)=C(N)O2
InChIInChI=1S/C15H19N3O2/c1-5-18-9(4)6-11-13(15(18)19)12(8(2)3)10(7-16)14(17)20-11/h6,8,12H,5,17H2,1-4H3
InChIKeyNLUVZJRHZDJFIB-UHFFFAOYSA-N
XLogP2.00
TPSA81.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethyl-7-methyl-5-oxo-4-propan-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-ethyl-7-methyl-5-oxo-4-propan-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 4891512) is 2-amino-6-ethyl-7-methyl-5-oxo-4-propan-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-ethyl-7-methyl-5-oxo-4-propan-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-ethyl-7-methyl-5-oxo-4-propan-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile is CCn1c(C)cc2c(c1=O)C(C(C)C)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-6-ethyl-7-methyl-5-oxo-4-propan-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is NLUVZJRHZDJFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-5-18-9(4)6-11-13(15(18)19)12(8(2)3)10(7-16)14(17)20-11/h6,8,12H,5,17H2,1-4H3.
What are the key properties of 2-amino-6-ethyl-7-methyl-5-oxo-4-propan-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-6-ethyl-7-methyl-5-oxo-4-propan-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 273.34 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethyl-7-methyl-5-oxo-4-propan-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 4891512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).