6-[[4-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopenten-1-yl]methylamino]pyridine-3-carbonitrile

C19H22N6O — CID 69483161

IUPAC6-[[4-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopenten-1-yl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCC2=CCC(NCC(=O)N3CCCC3C#N)C2)nc1
InChIInChI=1S/C19H22N6O/c20-9-15-4-6-18(24-12-15)23-11-14-3-5-16(8-14)22-13-19(26)25-7-1-2-17(25)10-21/h3-4,6,12,16-17,22H,1-2,5,7-8,11,13H2,(H,23,24)
InChIKeyYOLAUPIXJKPUKP-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.56
Rot. Bonds6

About 6-[[4-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopenten-1-yl]methylamino]pyridine-3-carbonitrile

6-[[4-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopenten-1-yl]methylamino]pyridine-3-carbonitrile (PubChem CID 69483161) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 6-[[4-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopenten-1-yl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[4-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopenten-1-yl]methylamino]pyridine-3-carbonitrile
PubChem CID69483161
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name6-[[4-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopenten-1-yl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCC2=CCC(NCC(=O)N3CCCC3C#N)C2)nc1
InChIInChI=1S/C19H22N6O/c20-9-15-4-6-18(24-12-15)23-11-14-3-5-16(8-14)22-13-19(26)25-7-1-2-17(25)10-21/h3-4,6,12,16-17,22H,1-2,5,7-8,11,13H2,(H,23,24)
InChIKeyYOLAUPIXJKPUKP-UHFFFAOYSA-N
XLogP1.56
TPSA104.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-[[4-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopenten-1-yl]methylamino]pyridine-3-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

6-[[(3S)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile
CID 69483338
6-[[(1R,4S)-4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopent-2-en-1-yl]methylamino]pyridine-3-carbonitrile
CID 69483521
6-[2-[[2-(2-cyanoazetidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile
CID 66895451
6-[1-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile
CID 87791280
6-[[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]amino]pyridine-3-carbonitrile
CID 139926624
6-[[3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile
CID 152939473
6-[2-[[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile
CID 91182310
(2S)-1-[2-[[(1S,3R)-3-[[(5-isocyano-2-pyridinyl)amino]methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 58885101
6-[2-[[1-(2-cyanopyrrolidin-1-yl)-2-hydroxyethylidene]amino]ethylamino]pyridine-3-carbonitrile
CID 91282505
4-[[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]amino]pyrimidine-5-carbonitrile
CID 10132772
1-[2-[(5-cyano-2-pyridinyl)amino]ethyl-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]carbamoyl]oxyethyl acetate
CID 10180967
(2S)-1-[2-(spiro[3.5]nonan-7-ylamino)acetyl]pyrrolidine-2-carbonitrile
CID 69315297

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopenten-1-yl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[4-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopenten-1-yl]methylamino]pyridine-3-carbonitrile (CID 69483161) is 6-[[4-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopenten-1-yl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[4-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopenten-1-yl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[4-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopenten-1-yl]methylamino]pyridine-3-carbonitrile is N#Cc1ccc(NCC2=CCC(NCC(=O)N3CCCC3C#N)C2)nc1.
What is the InChIKey of 6-[[4-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopenten-1-yl]methylamino]pyridine-3-carbonitrile?
The InChIKey is YOLAUPIXJKPUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c20-9-15-4-6-18(24-12-15)23-11-14-3-5-16(8-14)22-13-19(26)25-7-1-2-17(25)10-21/h3-4,6,12,16-17,22H,1-2,5,7-8,11,13H2,(H,23,24).
What are the key properties of 6-[[4-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopenten-1-yl]methylamino]pyridine-3-carbonitrile?
6-[[4-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopenten-1-yl]methylamino]pyridine-3-carbonitrile has a molecular weight of 350.43 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopenten-1-yl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 69483161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).