4-(methoxymethyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)pyridin-2-one

C16H19N3O2 — CID 58269477

IUPAC4-(methoxymethyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)pyridin-2-one
SMILESCOCc1ccn(-c2ccc(N3CCCC3)nc2)c(=O)c1
InChIInChI=1S/C16H19N3O2/c1-21-12-13-6-9-19(16(20)10-13)14-4-5-15(17-11-14)18-7-2-3-8-18/h4-6,9-11H,2-3,7-8,12H2,1H3
InChIKeyZBUJVKRJDUJRRI-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.98
Rot. Bonds4

About 4-(methoxymethyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)pyridin-2-one

4-(methoxymethyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)pyridin-2-one (PubChem CID 58269477) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)pyridin-2-one.

Molecular Properties

Compound Name4-(methoxymethyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)pyridin-2-one
PubChem CID58269477
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-(methoxymethyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)pyridin-2-one
SMILESCOCc1ccn(-c2ccc(N3CCCC3)nc2)c(=O)c1
InChIInChI=1S/C16H19N3O2/c1-21-12-13-6-9-19(16(20)10-13)14-4-5-15(17-11-14)18-7-2-3-8-18/h4-6,9-11H,2-3,7-8,12H2,1H3
InChIKeyZBUJVKRJDUJRRI-UHFFFAOYSA-N
XLogP1.98
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)pyridin-2-one?
The IUPAC name of 4-(methoxymethyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)pyridin-2-one (CID 58269477) is 4-(methoxymethyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)pyridin-2-one.
What is the SMILES notation for 4-(methoxymethyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)pyridin-2-one?
The canonical SMILES for 4-(methoxymethyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)pyridin-2-one is COCc1ccn(-c2ccc(N3CCCC3)nc2)c(=O)c1.
What is the InChIKey of 4-(methoxymethyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)pyridin-2-one?
The InChIKey is ZBUJVKRJDUJRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-21-12-13-6-9-19(16(20)10-13)14-4-5-15(17-11-14)18-7-2-3-8-18/h4-6,9-11H,2-3,7-8,12H2,1H3.
What are the key properties of 4-(methoxymethyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)pyridin-2-one?
4-(methoxymethyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)pyridin-2-one has a molecular weight of 285.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)pyridin-2-one is sourced from PubChem (CID 58269477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).