6-[2-[[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile

C15H21N5O — CID 91182310

IUPAC6-[2-[[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile
SMILESC[C@H]1CCCN1C(=O)CNCCNc1ccc(C#N)cn1
InChIInChI=1S/C15H21N5O/c1-12-3-2-8-20(12)15(21)11-17-6-7-18-14-5-4-13(9-16)10-19-14/h4-5,10,12,17H,2-3,6-8,11H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyKRZSPEWDMHEGHG-LBPRGKRZSA-N
MW287.37 g/mol
LogP0.97
Rot. Bonds6

About 6-[2-[[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile

6-[2-[[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile (PubChem CID 91182310) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-[2-[[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-[[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile
PubChem CID91182310
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name6-[2-[[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile
SMILESC[C@H]1CCCN1C(=O)CNCCNc1ccc(C#N)cn1
InChIInChI=1S/C15H21N5O/c1-12-3-2-8-20(12)15(21)11-17-6-7-18-14-5-4-13(9-16)10-19-14/h4-5,10,12,17H,2-3,6-8,11H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyKRZSPEWDMHEGHG-LBPRGKRZSA-N
XLogP0.97
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[2-[[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]ethylamino]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-[2-[[2-(2-cyanoazetidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile
CID 66895451
6-[[3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile
CID 152939473
6-[2-[(3-methyl-2-oxobutyl)amino]ethylamino]pyridine-3-carbonitrile
CID 70343808
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-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile
CID 115576194
6-[[(3S)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile
CID 69483338
6-[(3-oxo-3-piperidin-1-ylpropyl)amino]pyridine-3-carbonitrile
CID 112685210
6-[1-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile
CID 87791280
6-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile
CID 47359929
6-[[4-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopenten-1-yl]methylamino]pyridine-3-carbonitrile
CID 69483161
6-[[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]amino]pyridine-3-carbonitrile
CID 139926624
tert-butyl (2S)-2-[[(5-cyano-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 91203490

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-[[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile (CID 91182310) is 6-[2-[[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-[[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-[[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile is C[C@H]1CCCN1C(=O)CNCCNc1ccc(C#N)cn1.
What is the InChIKey of 6-[2-[[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile?
The InChIKey is KRZSPEWDMHEGHG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5O/c1-12-3-2-8-20(12)15(21)11-17-6-7-18-14-5-4-13(9-16)10-19-14/h4-5,10,12,17H,2-3,6-8,11H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of 6-[2-[[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile?
6-[2-[[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile has a molecular weight of 287.37 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 91182310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).