4-amino-1-(2-morpholin-4-yl-2-oxoethyl)-5-propylpyrrole-2-carbonitrile

C14H20N4O2 — CID 100769143

IUPAC4-amino-1-(2-morpholin-4-yl-2-oxoethyl)-5-propylpyrrole-2-carbonitrile
SMILESCCCc1c(N)cc(C#N)n1CC(=O)N1CCOCC1
InChIInChI=1S/C14H20N4O2/c1-2-3-13-12(16)8-11(9-15)18(13)10-14(19)17-4-6-20-7-5-17/h8H,2-7,10,16H2,1H3
InChIKeyCZIKMFQBGSQTLN-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.75
Rot. Bonds4

About 4-amino-1-(2-morpholin-4-yl-2-oxoethyl)-5-propylpyrrole-2-carbonitrile

4-amino-1-(2-morpholin-4-yl-2-oxoethyl)-5-propylpyrrole-2-carbonitrile (PubChem CID 100769143) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-amino-1-(2-morpholin-4-yl-2-oxoethyl)-5-propylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-amino-1-(2-morpholin-4-yl-2-oxoethyl)-5-propylpyrrole-2-carbonitrile
PubChem CID100769143
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4-amino-1-(2-morpholin-4-yl-2-oxoethyl)-5-propylpyrrole-2-carbonitrile
SMILESCCCc1c(N)cc(C#N)n1CC(=O)N1CCOCC1
InChIInChI=1S/C14H20N4O2/c1-2-3-13-12(16)8-11(9-15)18(13)10-14(19)17-4-6-20-7-5-17/h8H,2-7,10,16H2,1H3
InChIKeyCZIKMFQBGSQTLN-UHFFFAOYSA-N
XLogP0.75
TPSA84.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-pentylpyrrole-2-carbonitrile
CID 100768751
4-amino-5-[(4-methylphenyl)methyl]-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carbonitrile
CID 100768884
4-amino-5-[(4-methylphenyl)methyl]-1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]pyrrole-2-carbonitrile
CID 100768977
1-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)ethanone
CID 115569311
2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-propylpyrimidin-4-one
CID 7588292
morpholin-4-yl-(5-propyl-1,2-oxazol-3-yl)methanone
CID 46246353
6-amino-3-[2-(azepan-1-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione
CID 9355179
4-amino-3-[(3-morpholin-4-yl-3-oxopropyl)amino]benzonitrile
CID 104712293
1-butyl-4-(2-morpholin-4-yl-2-oxoethyl)quinoxaline-2,3-dione
CID 46786299
1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4,5-dicarbonitrile
CID 112595685
2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-1-morpholin-4-ylethanone
CID 78818405
4-amino-5-(2-methylpropyl)-1-pentylpyrrole-2-carbonitrile
CID 100767517

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-morpholin-4-yl-2-oxoethyl)-5-propylpyrrole-2-carbonitrile?
The IUPAC name of 4-amino-1-(2-morpholin-4-yl-2-oxoethyl)-5-propylpyrrole-2-carbonitrile (CID 100769143) is 4-amino-1-(2-morpholin-4-yl-2-oxoethyl)-5-propylpyrrole-2-carbonitrile.
What is the SMILES notation for 4-amino-1-(2-morpholin-4-yl-2-oxoethyl)-5-propylpyrrole-2-carbonitrile?
The canonical SMILES for 4-amino-1-(2-morpholin-4-yl-2-oxoethyl)-5-propylpyrrole-2-carbonitrile is CCCc1c(N)cc(C#N)n1CC(=O)N1CCOCC1.
What is the InChIKey of 4-amino-1-(2-morpholin-4-yl-2-oxoethyl)-5-propylpyrrole-2-carbonitrile?
The InChIKey is CZIKMFQBGSQTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-2-3-13-12(16)8-11(9-15)18(13)10-14(19)17-4-6-20-7-5-17/h8H,2-7,10,16H2,1H3.
What are the key properties of 4-amino-1-(2-morpholin-4-yl-2-oxoethyl)-5-propylpyrrole-2-carbonitrile?
4-amino-1-(2-morpholin-4-yl-2-oxoethyl)-5-propylpyrrole-2-carbonitrile has a molecular weight of 276.34 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-morpholin-4-yl-2-oxoethyl)-5-propylpyrrole-2-carbonitrile is sourced from PubChem (CID 100769143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).