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

C17H16N4O2 — CID 667412

IUPAC2-amino-6-ethyl-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCn1c(C)cc2c(c1=O)C(c1ccncc1)C(C#N)=C(N)O2
InChIInChI=1S/C17H16N4O2/c1-3-21-10(2)8-13-15(17(21)22)14(11-4-6-20-7-5-11)12(9-18)16(19)23-13/h4-8,14H,3,19H2,1-2H3
InChIKeySYQZMUQJMNWNJJ-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.79
Rot. Bonds2

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

2-amino-6-ethyl-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 667412) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-amino-6-ethyl-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-ethyl-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID667412
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-amino-6-ethyl-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCn1c(C)cc2c(c1=O)C(c1ccncc1)C(C#N)=C(N)O2
InChIInChI=1S/C17H16N4O2/c1-3-21-10(2)8-13-15(17(21)22)14(11-4-6-20-7-5-11)12(9-18)16(19)23-13/h4-8,14H,3,19H2,1-2H3
InChIKeySYQZMUQJMNWNJJ-UHFFFAOYSA-N
XLogP1.79
TPSA93.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethyl-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-ethyl-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 667412) is 2-amino-6-ethyl-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-ethyl-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-ethyl-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile is CCn1c(C)cc2c(c1=O)C(c1ccncc1)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-6-ethyl-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is SYQZMUQJMNWNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-3-21-10(2)8-13-15(17(21)22)14(11-4-6-20-7-5-11)12(9-18)16(19)23-13/h4-8,14H,3,19H2,1-2H3.
What are the key properties of 2-amino-6-ethyl-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-6-ethyl-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 308.34 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethyl-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 667412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).