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

C16H19N3O2 — CID 11778687

IUPAC3-hydroxy-1-(pyridin-4-ylmethyl)-4-(pyrrolidin-1-ylmethyl)pyridin-2-one
SMILESO=c1c(O)c(CN2CCCC2)ccn1Cc1ccncc1
InChIInChI=1S/C16H19N3O2/c20-15-14(12-18-8-1-2-9-18)5-10-19(16(15)21)11-13-3-6-17-7-4-13/h3-7,10,20H,1-2,8-9,11-12H2
InChIKeyVFQGABYANAQDAP-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.59
Rot. Bonds4

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

3-hydroxy-1-(pyridin-4-ylmethyl)-4-(pyrrolidin-1-ylmethyl)pyridin-2-one (PubChem CID 11778687) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-hydroxy-1-(pyridin-4-ylmethyl)-4-(pyrrolidin-1-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-(pyridin-4-ylmethyl)-4-(pyrrolidin-1-ylmethyl)pyridin-2-one
PubChem CID11778687
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-hydroxy-1-(pyridin-4-ylmethyl)-4-(pyrrolidin-1-ylmethyl)pyridin-2-one
SMILESO=c1c(O)c(CN2CCCC2)ccn1Cc1ccncc1
InChIInChI=1S/C16H19N3O2/c20-15-14(12-18-8-1-2-9-18)5-10-19(16(15)21)11-13-3-6-17-7-4-13/h3-7,10,20H,1-2,8-9,11-12H2
InChIKeyVFQGABYANAQDAP-UHFFFAOYSA-N
XLogP1.59
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(pyridin-4-ylmethyl)-4-(pyrrolidin-1-ylmethyl)pyridin-2-one?
The IUPAC name of 3-hydroxy-1-(pyridin-4-ylmethyl)-4-(pyrrolidin-1-ylmethyl)pyridin-2-one (CID 11778687) is 3-hydroxy-1-(pyridin-4-ylmethyl)-4-(pyrrolidin-1-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-hydroxy-1-(pyridin-4-ylmethyl)-4-(pyrrolidin-1-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-hydroxy-1-(pyridin-4-ylmethyl)-4-(pyrrolidin-1-ylmethyl)pyridin-2-one is O=c1c(O)c(CN2CCCC2)ccn1Cc1ccncc1.
What is the InChIKey of 3-hydroxy-1-(pyridin-4-ylmethyl)-4-(pyrrolidin-1-ylmethyl)pyridin-2-one?
The InChIKey is VFQGABYANAQDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-15-14(12-18-8-1-2-9-18)5-10-19(16(15)21)11-13-3-6-17-7-4-13/h3-7,10,20H,1-2,8-9,11-12H2.
What are the key properties of 3-hydroxy-1-(pyridin-4-ylmethyl)-4-(pyrrolidin-1-ylmethyl)pyridin-2-one?
3-hydroxy-1-(pyridin-4-ylmethyl)-4-(pyrrolidin-1-ylmethyl)pyridin-2-one has a molecular weight of 285.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(pyridin-4-ylmethyl)-4-(pyrrolidin-1-ylmethyl)pyridin-2-one is sourced from PubChem (CID 11778687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).