4-[8-[butyl(ethyl)amino]-6-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazin-4-yl]-3-chlorobenzonitrile

C21H24ClN5O — CID 11176967

IUPAC4-[8-[butyl(ethyl)amino]-6-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazin-4-yl]-3-chlorobenzonitrile
SMILESCCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(C#N)cc1Cl
InChIInChI=1S/C21H24ClN5O/c1-4-6-9-26(5-2)18-10-14(3)24-21-20(18)25-19(28)13-27(21)17-8-7-15(12-23)11-16(17)22/h7-8,10-11H,4-6,9,13H2,1-3H3,(H,25,28)
InChIKeyJCZLNUQEOOKMKV-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.63
Rot. Bonds6

About 4-[8-[butyl(ethyl)amino]-6-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazin-4-yl]-3-chlorobenzonitrile

4-[8-[butyl(ethyl)amino]-6-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazin-4-yl]-3-chlorobenzonitrile (PubChem CID 11176967) has the molecular formula C21H24ClN5O and a molecular weight of 397.91 g/mol. Its IUPAC name is 4-[8-[butyl(ethyl)amino]-6-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazin-4-yl]-3-chlorobenzonitrile.

Molecular Properties

Compound Name4-[8-[butyl(ethyl)amino]-6-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazin-4-yl]-3-chlorobenzonitrile
PubChem CID11176967
Molecular FormulaC21H24ClN5O
Molecular Weight397.91 g/mol
Exact Mass397.17
IUPAC Name4-[8-[butyl(ethyl)amino]-6-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazin-4-yl]-3-chlorobenzonitrile
SMILESCCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(C#N)cc1Cl
InChIInChI=1S/C21H24ClN5O/c1-4-6-9-26(5-2)18-10-14(3)24-21-20(18)25-19(28)13-27(21)17-8-7-15(12-23)11-16(17)22/h7-8,10-11H,4-6,9,13H2,1-3H3,(H,25,28)
InChIKeyJCZLNUQEOOKMKV-UHFFFAOYSA-N
XLogP4.63
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[butyl(ethyl)amino]-6-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazin-4-yl]-3-chlorobenzonitrile?
The IUPAC name of 4-[8-[butyl(ethyl)amino]-6-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazin-4-yl]-3-chlorobenzonitrile (CID 11176967) is 4-[8-[butyl(ethyl)amino]-6-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazin-4-yl]-3-chlorobenzonitrile.
What is the SMILES notation for 4-[8-[butyl(ethyl)amino]-6-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazin-4-yl]-3-chlorobenzonitrile?
The canonical SMILES for 4-[8-[butyl(ethyl)amino]-6-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazin-4-yl]-3-chlorobenzonitrile is CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(C#N)cc1Cl.
What is the InChIKey of 4-[8-[butyl(ethyl)amino]-6-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazin-4-yl]-3-chlorobenzonitrile?
The InChIKey is JCZLNUQEOOKMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O/c1-4-6-9-26(5-2)18-10-14(3)24-21-20(18)25-19(28)13-27(21)17-8-7-15(12-23)11-16(17)22/h7-8,10-11H,4-6,9,13H2,1-3H3,(H,25,28).
What are the key properties of 4-[8-[butyl(ethyl)amino]-6-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazin-4-yl]-3-chlorobenzonitrile?
4-[8-[butyl(ethyl)amino]-6-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazin-4-yl]-3-chlorobenzonitrile has a molecular weight of 397.91 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[butyl(ethyl)amino]-6-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazin-4-yl]-3-chlorobenzonitrile is sourced from PubChem (CID 11176967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).