4-amino-5-ethyl-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carbonitrile

C15H22N4O — CID 133168340

IUPAC4-amino-5-ethyl-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carbonitrile
SMILESCCc1c(N)cc(C#N)n1CC(=O)N1CCCC(C)C1
InChIInChI=1S/C15H22N4O/c1-3-14-13(17)7-12(8-16)19(14)10-15(20)18-6-4-5-11(2)9-18/h7,11H,3-6,9-10,17H2,1-2H3
InChIKeyUCASBFAXPZQUQJ-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.76
Rot. Bonds3

About 4-amino-5-ethyl-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carbonitrile

4-amino-5-ethyl-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carbonitrile (PubChem CID 133168340) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-amino-5-ethyl-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-amino-5-ethyl-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carbonitrile
PubChem CID133168340
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-amino-5-ethyl-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carbonitrile
SMILESCCc1c(N)cc(C#N)n1CC(=O)N1CCCC(C)C1
InChIInChI=1S/C15H22N4O/c1-3-14-13(17)7-12(8-16)19(14)10-15(20)18-6-4-5-11(2)9-18/h7,11H,3-6,9-10,17H2,1-2H3
InChIKeyUCASBFAXPZQUQJ-UHFFFAOYSA-N
XLogP1.76
TPSA75.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-5-ethyl-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

4-amino-5-[(4-methylphenyl)methyl]-1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]pyrrole-2-carbonitrile
CID 100768977
4-amino-1-(2-morpholin-4-yl-2-oxoethyl)-5-propylpyrrole-2-carbonitrile
CID 100769143
4-amino-5-benzyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carbonitrile
CID 100768878
4-amino-5-[(4-methylphenyl)methyl]-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carbonitrile
CID 100768884
4-amino-5-[(3S)-3-methylpiperidin-1-yl]-1-propylpyrrole-2-carbonitrile
CID 125062370
4-amino-5-[(3R)-3-methylpiperidin-1-yl]-1-prop-2-enylpyrrole-2-carbonitrile
CID 100770639
2-(2-amino-5-methylphenyl)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 99991754
4-amino-1-benzyl-5-(3-methylpiperidin-1-yl)pyrrole-2-carbonitrile
CID 133168370
N-(3-cyanophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952404
2-[2-(3-methylphenyl)pyrrolidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 47065520
1-(3-methylpiperidin-1-yl)-2-methylsulfanylethanone
CID 42910082
N-(1-cyanopropyl)-3-methylpiperidine-1-carboxamide
CID 79159247

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carbonitrile?
The IUPAC name of 4-amino-5-ethyl-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carbonitrile (CID 133168340) is 4-amino-5-ethyl-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 4-amino-5-ethyl-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carbonitrile?
The canonical SMILES for 4-amino-5-ethyl-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carbonitrile is CCc1c(N)cc(C#N)n1CC(=O)N1CCCC(C)C1.
What is the InChIKey of 4-amino-5-ethyl-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carbonitrile?
The InChIKey is UCASBFAXPZQUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-14-13(17)7-12(8-16)19(14)10-15(20)18-6-4-5-11(2)9-18/h7,11H,3-6,9-10,17H2,1-2H3.
What are the key properties of 4-amino-5-ethyl-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carbonitrile?
4-amino-5-ethyl-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carbonitrile has a molecular weight of 274.37 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 133168340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).