2-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile

C16H20N6 — CID 95145917

IUPAC2-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
SMILESCn1ccnc1CN1CC[C@@H](CNc2ncccc2C#N)C1
InChIInChI=1S/C16H20N6/c1-21-8-6-18-15(21)12-22-7-4-13(11-22)10-20-16-14(9-17)3-2-5-19-16/h2-3,5-6,8,13H,4,7,10-12H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyACJSSQLFCYKXRK-ZDUSSCGKSA-N
MW296.38 g/mol
LogP1.62
Rot. Bonds5

About 2-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile

2-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile (PubChem CID 95145917) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
PubChem CID95145917
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name2-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
SMILESCn1ccnc1CN1CC[C@@H](CNc2ncccc2C#N)C1
InChIInChI=1S/C16H20N6/c1-21-8-6-18-15(21)12-22-7-4-13(11-22)10-20-16-14(9-17)3-2-5-19-16/h2-3,5-6,8,13H,4,7,10-12H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyACJSSQLFCYKXRK-ZDUSSCGKSA-N
XLogP1.62
TPSA69.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-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

2-[[(3S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95146122
2-[[(3R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95142455
6-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95154585
2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 49227412
N-benzyl-2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide
CID 95144802
2-[[(3S)-1-[(2-oxo-3H-1-benzofuran-6-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95143506
3-[(1-ethylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile
CID 80510426
2-methyl-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63847439
2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]benzonitrile
CID 23852101
2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 95145608
2-(thian-4-ylmethylamino)pyridine-3-carbonitrile
CID 115625296
6-amino-N-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 95230665

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile (CID 95145917) is 2-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile is Cn1ccnc1CN1CC[C@@H](CNc2ncccc2C#N)C1.
What is the InChIKey of 2-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile?
The InChIKey is ACJSSQLFCYKXRK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N6/c1-21-8-6-18-15(21)12-22-7-4-13(11-22)10-20-16-14(9-17)3-2-5-19-16/h2-3,5-6,8,13H,4,7,10-12H2,1H3,(H,19,20)/t13-/m0/s1.
What are the key properties of 2-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile?
2-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile has a molecular weight of 296.38 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 95145917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).