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

C22H29N5 — CID 24768340

IUPAC4-[8-[butyl(ethyl)amino]-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl]-3-methylbenzonitrile
SMILESCCCCN(CC)c1cc(C)nc2c1NCCN2c1ccc(C#N)cc1C
InChIInChI=1S/C22H29N5/c1-5-7-11-26(6-2)20-14-17(4)25-22-21(20)24-10-12-27(22)19-9-8-18(15-23)13-16(19)3/h8-9,13-14,24H,5-7,10-12H2,1-4H3
InChIKeyRUUCWHURNIHOLR-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.76
Rot. Bonds6

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

4-[8-[butyl(ethyl)amino]-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl]-3-methylbenzonitrile (PubChem CID 24768340) has the molecular formula C22H29N5 and a molecular weight of 363.51 g/mol. Its IUPAC name is 4-[8-[butyl(ethyl)amino]-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl]-3-methylbenzonitrile.

Molecular Properties

Compound Name4-[8-[butyl(ethyl)amino]-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl]-3-methylbenzonitrile
PubChem CID24768340
Molecular FormulaC22H29N5
Molecular Weight363.51 g/mol
Exact Mass363.24
IUPAC Name4-[8-[butyl(ethyl)amino]-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl]-3-methylbenzonitrile
SMILESCCCCN(CC)c1cc(C)nc2c1NCCN2c1ccc(C#N)cc1C
InChIInChI=1S/C22H29N5/c1-5-7-11-26(6-2)20-14-17(4)25-22-21(20)24-10-12-27(22)19-9-8-18(15-23)13-16(19)3/h8-9,13-14,24H,5-7,10-12H2,1-4H3
InChIKeyRUUCWHURNIHOLR-UHFFFAOYSA-N
XLogP4.76
TPSA55.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[8-[butyl(ethyl)amino]-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl]-3-methylbenzonitrile with MolForge

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Related Compounds

4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
Senexin A
CID 56927063
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
8-Methyl-6-(4-methyl-1-piperazinyl)-11H-pyrido(2,3-b)(1,4)benzodiazepine
CID 3802
4-({[4-(2,4-Diamino-6-ethylpyrimidin-5-yl)phenyl]amino}methyl)benzonitrile
CID 11256439
3,6-dimethyl-4-N-(pentan-3-yl)-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-diamine
CID 21912204
4-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzonitrile
CID 25130235
4-[2-Amino-6-(piperazin-1-yl)pyrimidin-4-yl]benzonitrile
CID 25130576
2-(Piperazin-1-yl)-5,6,7,8-tetrahydroquinoline
CID 46228433
3-[2-(6-Amino-4-Methylpyridin-2-Yl)ethyl]-5-{2-[4-Methyl-6-(Methylamino)pyridin-2-Yl]ethyl}benzonitrile
CID 86346620
3-(2-(6-Amino-4-Methylpyridin-2-Yl)ethyl)-5-(Methyl(2-(Methylamino)ethyl)amino)benzonitrile
CID 91808026
4-{8-[butyl(ethyl)amino]-6-methyl-2-oxo-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-4-yl}-3-methylbenzonitrile
CID 24768339

Frequently Asked Questions

What is the IUPAC name of 4-[8-[butyl(ethyl)amino]-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl]-3-methylbenzonitrile?
The IUPAC name of 4-[8-[butyl(ethyl)amino]-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl]-3-methylbenzonitrile (CID 24768340) is 4-[8-[butyl(ethyl)amino]-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl]-3-methylbenzonitrile.
What is the SMILES notation for 4-[8-[butyl(ethyl)amino]-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl]-3-methylbenzonitrile?
The canonical SMILES for 4-[8-[butyl(ethyl)amino]-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl]-3-methylbenzonitrile is CCCCN(CC)c1cc(C)nc2c1NCCN2c1ccc(C#N)cc1C.
What is the InChIKey of 4-[8-[butyl(ethyl)amino]-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl]-3-methylbenzonitrile?
The InChIKey is RUUCWHURNIHOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5/c1-5-7-11-26(6-2)20-14-17(4)25-22-21(20)24-10-12-27(22)19-9-8-18(15-23)13-16(19)3/h8-9,13-14,24H,5-7,10-12H2,1-4H3.
What are the key properties of 4-[8-[butyl(ethyl)amino]-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl]-3-methylbenzonitrile?
4-[8-[butyl(ethyl)amino]-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl]-3-methylbenzonitrile has a molecular weight of 363.51 g/mol, XLogP of 4.76, 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-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl]-3-methylbenzonitrile is sourced from PubChem (CID 24768340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).