2-pyridin-3-ylethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate

C17H19N3O2 — CID 75523083

IUPAC2-pyridin-3-ylethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate
SMILESO=C(OCCc1cccnc1)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C17H19N3O2/c21-17(22-11-7-14-4-3-8-18-12-14)15-5-6-16(19-13-15)20-9-1-2-10-20/h3-6,8,12-13H,1-2,7,9-11H2
InChIKeyDXQZRXGKYVCUKF-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.48
Rot. Bonds5

About 2-pyridin-3-ylethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate

2-pyridin-3-ylethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate (PubChem CID 75523083) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-pyridin-3-ylethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name2-pyridin-3-ylethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate
PubChem CID75523083
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-pyridin-3-ylethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate
SMILESO=C(OCCc1cccnc1)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C17H19N3O2/c21-17(22-11-7-14-4-3-8-18-12-14)15-5-6-16(19-13-15)20-9-1-2-10-20/h3-6,8,12-13H,1-2,7,9-11H2
InChIKeyDXQZRXGKYVCUKF-UHFFFAOYSA-N
XLogP2.48
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-ylethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate?
The IUPAC name of 2-pyridin-3-ylethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate (CID 75523083) is 2-pyridin-3-ylethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate.
What is the SMILES notation for 2-pyridin-3-ylethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate?
The canonical SMILES for 2-pyridin-3-ylethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate is O=C(OCCc1cccnc1)c1ccc(N2CCCC2)nc1.
What is the InChIKey of 2-pyridin-3-ylethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate?
The InChIKey is DXQZRXGKYVCUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-17(22-11-7-14-4-3-8-18-12-14)15-5-6-16(19-13-15)20-9-1-2-10-20/h3-6,8,12-13H,1-2,7,9-11H2.
What are the key properties of 2-pyridin-3-ylethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate?
2-pyridin-3-ylethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate has a molecular weight of 297.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-ylethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate is sourced from PubChem (CID 75523083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).