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

C22H27N5O — CID 24768339

IUPAC4-[8-[butyl(ethyl)amino]-6-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazin-4-yl]-3-methylbenzonitrile
SMILESCCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(C#N)cc1C
InChIInChI=1S/C22H27N5O/c1-5-7-10-26(6-2)19-12-16(4)24-22-21(19)25-20(28)14-27(22)18-9-8-17(13-23)11-15(18)3/h8-9,11-12H,5-7,10,14H2,1-4H3,(H,25,28)
InChIKeyWRICDWRVYZJBJC-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.29
Rot. Bonds6

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

4-[8-[butyl(ethyl)amino]-6-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazin-4-yl]-3-methylbenzonitrile (PubChem CID 24768339) has the molecular formula C22H27N5O and a molecular weight of 377.49 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-methylbenzonitrile.

Molecular Properties

Compound Name4-[8-[butyl(ethyl)amino]-6-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazin-4-yl]-3-methylbenzonitrile
PubChem CID24768339
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name4-[8-[butyl(ethyl)amino]-6-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazin-4-yl]-3-methylbenzonitrile
SMILESCCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(C#N)cc1C
InChIInChI=1S/C22H27N5O/c1-5-7-10-26(6-2)19-12-16(4)24-22-21(19)25-20(28)14-27(22)18-9-8-17(13-23)11-15(18)3/h8-9,11-12H,5-7,10,14H2,1-4H3,(H,25,28)
InChIKeyWRICDWRVYZJBJC-UHFFFAOYSA-N
XLogP4.29
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.29
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-methylbenzonitrile?
The IUPAC name of 4-[8-[butyl(ethyl)amino]-6-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazin-4-yl]-3-methylbenzonitrile (CID 24768339) is 4-[8-[butyl(ethyl)amino]-6-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazin-4-yl]-3-methylbenzonitrile.
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-methylbenzonitrile?
The canonical SMILES for 4-[8-[butyl(ethyl)amino]-6-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazin-4-yl]-3-methylbenzonitrile is CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(C#N)cc1C.
What is the InChIKey of 4-[8-[butyl(ethyl)amino]-6-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazin-4-yl]-3-methylbenzonitrile?
The InChIKey is WRICDWRVYZJBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-5-7-10-26(6-2)19-12-16(4)24-22-21(19)25-20(28)14-27(22)18-9-8-17(13-23)11-15(18)3/h8-9,11-12H,5-7,10,14H2,1-4H3,(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-methylbenzonitrile?
4-[8-[butyl(ethyl)amino]-6-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazin-4-yl]-3-methylbenzonitrile has a molecular weight of 377.49 g/mol, XLogP of 4.29, 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-methylbenzonitrile is sourced from PubChem (CID 24768339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).