3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one

C24H29N3O3 — CID 54703779

IUPAC3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
SMILESCCN1CCN(C(c2ccccc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1
InChIInChI=1S/C24H29N3O3/c1-3-25-11-13-26(14-12-25)23(19-8-5-4-6-9-19)22-21(28)16-18(2)27(24(22)29)17-20-10-7-15-30-20/h4-10,15-16,23,28H,3,11-14,17H2,1-2H3
InChIKeyRYLLGGAZTIEQES-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.23
Rot. Bonds6

About 3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one

3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one (PubChem CID 54703779) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
PubChem CID54703779
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
SMILESCCN1CCN(C(c2ccccc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1
InChIInChI=1S/C24H29N3O3/c1-3-25-11-13-26(14-12-25)23(19-8-5-4-6-9-19)22-21(28)16-18(2)27(24(22)29)17-20-10-7-15-30-20/h4-10,15-16,23,28H,3,11-14,17H2,1-2H3
InChIKeyRYLLGGAZTIEQES-UHFFFAOYSA-N
XLogP3.23
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-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 3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one (CID 54703779) is 3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one is CCN1CCN(C(c2ccccc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1.
What is the InChIKey of 3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is RYLLGGAZTIEQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-3-25-11-13-26(14-12-25)23(19-8-5-4-6-9-19)22-21(28)16-18(2)27(24(22)29)17-20-10-7-15-30-20/h4-10,15-16,23,28H,3,11-14,17H2,1-2H3.
What are the key properties of 3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one?
3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 407.51 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 54703779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).