2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(pyridin-4-ylmethyl)pyridin-4-one

C18H25N3O2 — CID 94960242

IUPAC2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(pyridin-4-ylmethyl)pyridin-4-one
SMILESCCCCN(CC)Cc1cc(=O)c(O)cn1Cc1ccncc1
InChIInChI=1S/C18H25N3O2/c1-3-5-10-20(4-2)13-16-11-17(22)18(23)14-21(16)12-15-6-8-19-9-7-15/h6-9,11,14,23H,3-5,10,12-13H2,1-2H3
InChIKeyVJOPIEMGQNUWAU-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.62
Rot. Bonds8

About 2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(pyridin-4-ylmethyl)pyridin-4-one

2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(pyridin-4-ylmethyl)pyridin-4-one (PubChem CID 94960242) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(pyridin-4-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(pyridin-4-ylmethyl)pyridin-4-one
PubChem CID94960242
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(pyridin-4-ylmethyl)pyridin-4-one
SMILESCCCCN(CC)Cc1cc(=O)c(O)cn1Cc1ccncc1
InChIInChI=1S/C18H25N3O2/c1-3-5-10-20(4-2)13-16-11-17(22)18(23)14-21(16)12-15-6-8-19-9-7-15/h6-9,11,14,23H,3-5,10,12-13H2,1-2H3
InChIKeyVJOPIEMGQNUWAU-UHFFFAOYSA-N
XLogP2.62
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(pyridin-4-ylmethyl)pyridin-4-one?
The IUPAC name of 2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(pyridin-4-ylmethyl)pyridin-4-one (CID 94960242) is 2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(pyridin-4-ylmethyl)pyridin-4-one.
What is the SMILES notation for 2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(pyridin-4-ylmethyl)pyridin-4-one?
The canonical SMILES for 2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(pyridin-4-ylmethyl)pyridin-4-one is CCCCN(CC)Cc1cc(=O)c(O)cn1Cc1ccncc1.
What is the InChIKey of 2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(pyridin-4-ylmethyl)pyridin-4-one?
The InChIKey is VJOPIEMGQNUWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-5-10-20(4-2)13-16-11-17(22)18(23)14-21(16)12-15-6-8-19-9-7-15/h6-9,11,14,23H,3-5,10,12-13H2,1-2H3.
What are the key properties of 2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(pyridin-4-ylmethyl)pyridin-4-one?
2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(pyridin-4-ylmethyl)pyridin-4-one has a molecular weight of 315.42 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(pyridin-4-ylmethyl)pyridin-4-one is sourced from PubChem (CID 94960242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).