4-amino-1-cyclopentyl-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]pyrrole-2-carbonitrile

C17H26N4 — CID 100771002

IUPAC4-amino-1-cyclopentyl-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]pyrrole-2-carbonitrile
SMILESC[C@H]1C[C@H](C)CN(c2c(N)cc(C#N)n2C2CCCC2)C1
InChIInChI=1S/C17H26N4/c1-12-7-13(2)11-20(10-12)17-16(19)8-15(9-18)21(17)14-5-3-4-6-14/h8,12-14H,3-7,10-11,19H2,1-2H3/t12-,13-/m0/s1
InChIKeyGRBGQWDVIYKXBX-STQMWFEESA-N
MW286.42 g/mol
LogP3.54
Rot. Bonds2

About 4-amino-1-cyclopentyl-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]pyrrole-2-carbonitrile

4-amino-1-cyclopentyl-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]pyrrole-2-carbonitrile (PubChem CID 100771002) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-amino-1-cyclopentyl-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-amino-1-cyclopentyl-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]pyrrole-2-carbonitrile
PubChem CID100771002
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name4-amino-1-cyclopentyl-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]pyrrole-2-carbonitrile
SMILESC[C@H]1C[C@H](C)CN(c2c(N)cc(C#N)n2C2CCCC2)C1
InChIInChI=1S/C17H26N4/c1-12-7-13(2)11-20(10-12)17-16(19)8-15(9-18)21(17)14-5-3-4-6-14/h8,12-14H,3-7,10-11,19H2,1-2H3/t12-,13-/m0/s1
InChIKeyGRBGQWDVIYKXBX-STQMWFEESA-N
XLogP3.54
TPSA57.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-1-cyclopentyl-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]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

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopentyl-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]pyrrole-2-carbonitrile?
The IUPAC name of 4-amino-1-cyclopentyl-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]pyrrole-2-carbonitrile (CID 100771002) is 4-amino-1-cyclopentyl-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]pyrrole-2-carbonitrile.
What is the SMILES notation for 4-amino-1-cyclopentyl-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]pyrrole-2-carbonitrile?
The canonical SMILES for 4-amino-1-cyclopentyl-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]pyrrole-2-carbonitrile is C[C@H]1C[C@H](C)CN(c2c(N)cc(C#N)n2C2CCCC2)C1.
What is the InChIKey of 4-amino-1-cyclopentyl-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]pyrrole-2-carbonitrile?
The InChIKey is GRBGQWDVIYKXBX-STQMWFEESA-N. The full InChI is InChI=1S/C17H26N4/c1-12-7-13(2)11-20(10-12)17-16(19)8-15(9-18)21(17)14-5-3-4-6-14/h8,12-14H,3-7,10-11,19H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of 4-amino-1-cyclopentyl-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]pyrrole-2-carbonitrile?
4-amino-1-cyclopentyl-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]pyrrole-2-carbonitrile has a molecular weight of 286.42 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopentyl-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]pyrrole-2-carbonitrile is sourced from PubChem (CID 100771002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).