methyl 6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate

C17H19N3O2 — CID 56750220

IUPACmethyl 6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN2CCCC2c2ccccn2)n1
InChIInChI=1S/C17H19N3O2/c1-22-17(21)15-8-4-6-13(19-15)12-20-11-5-9-16(20)14-7-2-3-10-18-14/h2-4,6-8,10,16H,5,9,11-12H2,1H3
InChIKeyRRDMTSIGKHHWHV-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.60
Rot. Bonds4

About methyl 6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate

methyl 6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate (PubChem CID 56750220) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is methyl 6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate
PubChem CID56750220
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Namemethyl 6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN2CCCC2c2ccccn2)n1
InChIInChI=1S/C17H19N3O2/c1-22-17(21)15-8-4-6-13(19-15)12-20-11-5-9-16(20)14-7-2-3-10-18-14/h2-4,6-8,10,16H,5,9,11-12H2,1H3
InChIKeyRRDMTSIGKHHWHV-UHFFFAOYSA-N
XLogP2.60
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate (CID 56750220) is methyl 6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate is COC(=O)c1cccc(CN2CCCC2c2ccccn2)n1.
What is the InChIKey of methyl 6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate?
The InChIKey is RRDMTSIGKHHWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-22-17(21)15-8-4-6-13(19-15)12-20-11-5-9-16(20)14-7-2-3-10-18-14/h2-4,6-8,10,16H,5,9,11-12H2,1H3.
What are the key properties of methyl 6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate?
methyl 6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate has a molecular weight of 297.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 56750220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).