6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid

C15H18N4O2 — CID 122048644

IUPAC6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESCc1nccn1CC1CCCN1c1cccc(C(=O)O)n1
InChIInChI=1S/C15H18N4O2/c1-11-16-7-9-18(11)10-12-4-3-8-19(12)14-6-2-5-13(17-14)15(20)21/h2,5-7,9,12H,3-4,8,10H2,1H3,(H,20,21)
InChIKeyOJSKGEANVXJNDD-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.95
Rot. Bonds4

About 6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid

6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122048644) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid
PubChem CID122048644
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESCc1nccn1CC1CCCN1c1cccc(C(=O)O)n1
InChIInChI=1S/C15H18N4O2/c1-11-16-7-9-18(11)10-12-4-3-8-19(12)14-6-2-5-13(17-14)15(20)21/h2,5-7,9,12H,3-4,8,10H2,1H3,(H,20,21)
InChIKeyOJSKGEANVXJNDD-UHFFFAOYSA-N
XLogP1.95
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid (CID 122048644) is 6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid is Cc1nccn1CC1CCCN1c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is OJSKGEANVXJNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-16-7-9-18(11)10-12-4-3-8-19(12)14-6-2-5-13(17-14)15(20)21/h2,5-7,9,12H,3-4,8,10H2,1H3,(H,20,21).
What are the key properties of 6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid?
6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 286.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122048644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).