2-(2-methylimidazol-1-yl)-6-pyrrolidin-2-ylpyridine

C13H16N4 — CID 73439254

IUPAC2-(2-methylimidazol-1-yl)-6-pyrrolidin-2-ylpyridine
SMILESCc1nccn1-c1cccc(C2CCCN2)n1
InChIInChI=1S/C13H16N4/c1-10-14-8-9-17(10)13-6-2-4-12(16-13)11-5-3-7-15-11/h2,4,6,8-9,11,15H,3,5,7H2,1H3
InChIKeyKNUWXIWCRCDCSN-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.00
Rot. Bonds2

About 2-(2-methylimidazol-1-yl)-6-pyrrolidin-2-ylpyridine

2-(2-methylimidazol-1-yl)-6-pyrrolidin-2-ylpyridine (PubChem CID 73439254) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-6-pyrrolidin-2-ylpyridine.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-6-pyrrolidin-2-ylpyridine
PubChem CID73439254
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-(2-methylimidazol-1-yl)-6-pyrrolidin-2-ylpyridine
SMILESCc1nccn1-c1cccc(C2CCCN2)n1
InChIInChI=1S/C13H16N4/c1-10-14-8-9-17(10)13-6-2-4-12(16-13)11-5-3-7-15-11/h2,4,6,8-9,11,15H,3,5,7H2,1H3
InChIKeyKNUWXIWCRCDCSN-UHFFFAOYSA-N
XLogP2.00
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-imidazol-2-yl)pyridine
CID 589313
IRAK4 inhibitor rac-45
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[2-(1H-imidazol-1-yl)pyridin-4-yl]methanamine
CID 16782615
3-((1H-imidazol-4-yl)methyl)pyridine
CID 9812843
2-((1H-imidazol-4-yl)methyl)pyridine
CID 9877454
5-[3-(1H-imidazol-1-yl)propyl]-7,8-dihydroquinoline
CID 10586086
3-(2-Methyl-1H-imidazol-1-yl)pyridine
CID 16654686
N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}-3-(Pyridin-3-Yl)propan-1-Amine
CID 118656419
4-(2-Methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 6539018
6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
CID 166961538
6-(6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl)-N-(2,2-dimethylpyrrolidin-3-yl)pyridin-2-amine
CID 166961580
Exemplary Synthetic Procedure #37
CID 166961766

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-6-pyrrolidin-2-ylpyridine?
The IUPAC name of 2-(2-methylimidazol-1-yl)-6-pyrrolidin-2-ylpyridine (CID 73439254) is 2-(2-methylimidazol-1-yl)-6-pyrrolidin-2-ylpyridine.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-6-pyrrolidin-2-ylpyridine?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-6-pyrrolidin-2-ylpyridine is Cc1nccn1-c1cccc(C2CCCN2)n1.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-6-pyrrolidin-2-ylpyridine?
The InChIKey is KNUWXIWCRCDCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-10-14-8-9-17(10)13-6-2-4-12(16-13)11-5-3-7-15-11/h2,4,6,8-9,11,15H,3,5,7H2,1H3.
What are the key properties of 2-(2-methylimidazol-1-yl)-6-pyrrolidin-2-ylpyridine?
2-(2-methylimidazol-1-yl)-6-pyrrolidin-2-ylpyridine has a molecular weight of 228.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-6-pyrrolidin-2-ylpyridine is sourced from PubChem (CID 73439254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).