3-(8-amino-4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzonitrile

C16H13N5O — CID 44612217

IUPAC3-(8-amino-4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzonitrile
SMILESCCn1c(=O)c(-c2cccc(C#N)c2)nc2c(N)ccnc21
InChIInChI=1S/C16H13N5O/c1-2-21-15-14(12(18)6-7-19-15)20-13(16(21)22)11-5-3-4-10(8-11)9-17/h3-8H,2H2,1H3,(H2,18,19)
InChIKeyYWAJDNTZQDAISK-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.93
Rot. Bonds2

About 3-(8-amino-4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzonitrile

3-(8-amino-4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzonitrile (PubChem CID 44612217) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-(8-amino-4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzonitrile.

Molecular Properties

Compound Name3-(8-amino-4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzonitrile
PubChem CID44612217
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name3-(8-amino-4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzonitrile
SMILESCCn1c(=O)c(-c2cccc(C#N)c2)nc2c(N)ccnc21
InChIInChI=1S/C16H13N5O/c1-2-21-15-14(12(18)6-7-19-15)20-13(16(21)22)11-5-3-4-10(8-11)9-17/h3-8H,2H2,1H3,(H2,18,19)
InChIKeyYWAJDNTZQDAISK-UHFFFAOYSA-N
XLogP1.93
TPSA97.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(8-amino-4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(8-amino-4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzonitrile?
The IUPAC name of 3-(8-amino-4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzonitrile (CID 44612217) is 3-(8-amino-4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzonitrile.
What is the SMILES notation for 3-(8-amino-4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzonitrile?
The canonical SMILES for 3-(8-amino-4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzonitrile is CCn1c(=O)c(-c2cccc(C#N)c2)nc2c(N)ccnc21.
What is the InChIKey of 3-(8-amino-4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzonitrile?
The InChIKey is YWAJDNTZQDAISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-2-21-15-14(12(18)6-7-19-15)20-13(16(21)22)11-5-3-4-10(8-11)9-17/h3-8H,2H2,1H3,(H2,18,19).
What are the key properties of 3-(8-amino-4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzonitrile?
3-(8-amino-4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzonitrile has a molecular weight of 291.31 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-amino-4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzonitrile is sourced from PubChem (CID 44612217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).