3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one

C16H25N3O3 — CID 71708923

IUPAC3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
SMILESCn1c(CN2CCOCC2)cc(=O)c(O)c1CN1CCCC1
InChIInChI=1S/C16H25N3O3/c1-17-13(11-19-6-8-22-9-7-19)10-15(20)16(21)14(17)12-18-4-2-3-5-18/h10,21H,2-9,11-12H2,1H3
InChIKeyHZAXOTXPTPDWTJ-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.52
Rot. Bonds4

About 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one

3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one (PubChem CID 71708923) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
PubChem CID71708923
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
SMILESCn1c(CN2CCOCC2)cc(=O)c(O)c1CN1CCCC1
InChIInChI=1S/C16H25N3O3/c1-17-13(11-19-6-8-22-9-7-19)10-15(20)16(21)14(17)12-18-4-2-3-5-18/h10,21H,2-9,11-12H2,1H3
InChIKeyHZAXOTXPTPDWTJ-UHFFFAOYSA-N
XLogP0.52
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one (CID 71708923) is 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one is Cn1c(CN2CCOCC2)cc(=O)c(O)c1CN1CCCC1.
What is the InChIKey of 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The InChIKey is HZAXOTXPTPDWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-17-13(11-19-6-8-22-9-7-19)10-15(20)16(21)14(17)12-18-4-2-3-5-18/h10,21H,2-9,11-12H2,1H3.
What are the key properties of 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one has a molecular weight of 307.39 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one is sourced from PubChem (CID 71708923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).