1-cyclopropyl-2-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]-5-hydroxypyridin-4-one

C18H23N3O2 — CID 94961081

IUPAC1-cyclopropyl-2-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]-5-hydroxypyridin-4-one
SMILESCCN(CCc1ccncc1)Cc1cc(=O)c(O)cn1C1CC1
InChIInChI=1S/C18H23N3O2/c1-2-20(10-7-14-5-8-19-9-6-14)12-16-11-17(22)18(23)13-21(16)15-3-4-15/h5-6,8-9,11,13,15,23H,2-4,7,10,12H2,1H3
InChIKeyPWZDRJKVRPQJLS-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.35
Rot. Bonds7

About 1-cyclopropyl-2-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]-5-hydroxypyridin-4-one

1-cyclopropyl-2-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]-5-hydroxypyridin-4-one (PubChem CID 94961081) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]-5-hydroxypyridin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-2-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]-5-hydroxypyridin-4-one
PubChem CID94961081
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-cyclopropyl-2-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]-5-hydroxypyridin-4-one
SMILESCCN(CCc1ccncc1)Cc1cc(=O)c(O)cn1C1CC1
InChIInChI=1S/C18H23N3O2/c1-2-20(10-7-14-5-8-19-9-6-14)12-16-11-17(22)18(23)13-21(16)15-3-4-15/h5-6,8-9,11,13,15,23H,2-4,7,10,12H2,1H3
InChIKeyPWZDRJKVRPQJLS-UHFFFAOYSA-N
XLogP2.35
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-2-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]-5-hydroxypyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]-5-hydroxypyridin-4-one?
The IUPAC name of 1-cyclopropyl-2-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]-5-hydroxypyridin-4-one (CID 94961081) is 1-cyclopropyl-2-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]-5-hydroxypyridin-4-one.
What is the SMILES notation for 1-cyclopropyl-2-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]-5-hydroxypyridin-4-one?
The canonical SMILES for 1-cyclopropyl-2-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]-5-hydroxypyridin-4-one is CCN(CCc1ccncc1)Cc1cc(=O)c(O)cn1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]-5-hydroxypyridin-4-one?
The InChIKey is PWZDRJKVRPQJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-20(10-7-14-5-8-19-9-6-14)12-16-11-17(22)18(23)13-21(16)15-3-4-15/h5-6,8-9,11,13,15,23H,2-4,7,10,12H2,1H3.
What are the key properties of 1-cyclopropyl-2-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]-5-hydroxypyridin-4-one?
1-cyclopropyl-2-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]-5-hydroxypyridin-4-one has a molecular weight of 313.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]-5-hydroxypyridin-4-one is sourced from PubChem (CID 94961081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).