6-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile

C16H20N6 — CID 95154585

IUPAC6-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
SMILESCn1ccnc1CN1CC[C@H](CNc2ccc(C#N)cn2)C1
InChIInChI=1S/C16H20N6/c1-21-7-5-18-16(21)12-22-6-4-14(11-22)10-20-15-3-2-13(8-17)9-19-15/h2-3,5,7,9,14H,4,6,10-12H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyYUGDHHZWPNKHAY-CQSZACIVSA-N
MW296.38 g/mol
LogP1.62
Rot. Bonds5

About 6-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile

6-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile (PubChem CID 95154585) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 6-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
PubChem CID95154585
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name6-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
SMILESCn1ccnc1CN1CC[C@H](CNc2ccc(C#N)cn2)C1
InChIInChI=1S/C16H20N6/c1-21-7-5-18-16(21)12-22-6-4-14(11-22)10-20-15-3-2-13(8-17)9-19-15/h2-3,5,7,9,14H,4,6,10-12H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyYUGDHHZWPNKHAY-CQSZACIVSA-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 6-[[(3R)-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-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95145917
6-[[(3S)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95145221
6-[[(3R)-1-[2-(4-cyanophenoxy)ethyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95145761
6-[[(3S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95141983
2-[(3S)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 95138569
6-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carbonitrile
CID 63896552
2-methyl-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63847439
4-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 51260467
3-[(3R)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 95142462
6-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95290155
6-amino-N-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 95230666
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 6-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile (CID 95154585) is 6-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile is Cn1ccnc1CN1CC[C@H](CNc2ccc(C#N)cn2)C1.
What is the InChIKey of 6-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile?
The InChIKey is YUGDHHZWPNKHAY-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N6/c1-21-7-5-18-16(21)12-22-6-4-14(11-22)10-20-15-3-2-13(8-17)9-19-15/h2-3,5,7,9,14H,4,6,10-12H2,1H3,(H,19,20)/t14-/m1/s1.
What are the key properties of 6-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile?
6-[[(3R)-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 6-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 95154585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).