2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]pyridine

C16H22N4 — CID 91830276

IUPAC2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]pyridine
SMILESCc1nccn1CCCN1CCCC1c1ccccn1
InChIInChI=1S/C16H22N4/c1-14-17-9-13-19(14)11-5-12-20-10-4-7-16(20)15-6-2-3-8-18-15/h2-3,6,8-9,13,16H,4-5,7,10-12H2,1H3
InChIKeyRWYNFCWGZFGTDV-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.81
Rot. Bonds5

About 2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]pyridine

2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]pyridine (PubChem CID 91830276) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]pyridine
PubChem CID91830276
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]pyridine
SMILESCc1nccn1CCCN1CCCC1c1ccccn1
InChIInChI=1S/C16H22N4/c1-14-17-9-13-19(14)11-5-12-20-10-4-7-16(20)15-6-2-3-8-18-15/h2-3,6,8-9,13,16H,4-5,7,10-12H2,1H3
InChIKeyRWYNFCWGZFGTDV-UHFFFAOYSA-N
XLogP2.81
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-2-yl]-1H-benzimidazole
CID 124757526
5-methyl-2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]-3H-indole
CID 159292221
2-[1-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-2-yl]methyl]pyrrolidin-2-yl]pyridine
CID 145424881
(2R)-N,N-dimethyl-1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidine-2-carboxamide
CID 97009294
1-[2-[2-(bromomethyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
CID 80669869
3-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]-1-phenylpiperidin-2-one
CID 75474297
2-(2-pyridin-2-ylpyrrolidin-1-yl)acetic acid
CID 131863720
2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95730792
2-[1-(2-methylpropyl)piperidin-2-yl]pyridine
CID 102538970
1-[2-[2-(3-chloropropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
CID 63388388
3-[2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-1H-imidazol-2-one
CID 125156413
2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 45189094

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]pyridine?
The IUPAC name of 2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]pyridine (CID 91830276) is 2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]pyridine is Cc1nccn1CCCN1CCCC1c1ccccn1.
What is the InChIKey of 2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]pyridine?
The InChIKey is RWYNFCWGZFGTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-14-17-9-13-19(14)11-5-12-20-10-4-7-16(20)15-6-2-3-8-18-15/h2-3,6,8-9,13,16H,4-5,7,10-12H2,1H3.
What are the key properties of 2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]pyridine?
2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]pyridine has a molecular weight of 270.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 91830276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).