[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone

C15H20N2O3 — CID 91919426

IUPAC[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(OCC3CC3)C2)cn1
InChIInChI=1S/C15H20N2O3/c1-19-14-5-4-12(8-16-14)15(18)17-7-6-13(9-17)20-10-11-2-3-11/h4-5,8,11,13H,2-3,6-7,9-10H2,1H3
InChIKeyAIJIKHYRBTVPHB-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.73
Rot. Bonds5

About [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone

[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone (PubChem CID 91919426) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
PubChem CID91919426
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(OCC3CC3)C2)cn1
InChIInChI=1S/C15H20N2O3/c1-19-14-5-4-12(8-16-14)15(18)17-7-6-13(9-17)20-10-11-2-3-11/h4-5,8,11,13H,2-3,6-7,9-10H2,1H3
InChIKeyAIJIKHYRBTVPHB-UHFFFAOYSA-N
XLogP1.73
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The IUPAC name of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone (CID 91919426) is [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone is COc1ccc(C(=O)N2CCC(OCC3CC3)C2)cn1.
What is the InChIKey of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The InChIKey is AIJIKHYRBTVPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-19-14-5-4-12(8-16-14)15(18)17-7-6-13(9-17)20-10-11-2-3-11/h4-5,8,11,13H,2-3,6-7,9-10H2,1H3.
What are the key properties of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone has a molecular weight of 276.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 91919426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).