4-hydroxy-6-methyl-3-[(4-methylphenyl)-piperidin-1-ylmethyl]-1-(pyridin-3-ylmethyl)pyridin-2-one

C25H29N3O2 — CID 54729189

IUPAC4-hydroxy-6-methyl-3-[(4-methylphenyl)-piperidin-1-ylmethyl]-1-(pyridin-3-ylmethyl)pyridin-2-one
SMILESCc1ccc(C(c2c(O)cc(C)n(Cc3cccnc3)c2=O)N2CCCCC2)cc1
InChIInChI=1S/C25H29N3O2/c1-18-8-10-21(11-9-18)24(27-13-4-3-5-14-27)23-22(29)15-19(2)28(25(23)30)17-20-7-6-12-26-16-20/h6-12,15-16,24,29H,3-5,13-14,17H2,1-2H3
InChIKeyXTITWAMKPNUDPX-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.19
Rot. Bonds5

About 4-hydroxy-6-methyl-3-[(4-methylphenyl)-piperidin-1-ylmethyl]-1-(pyridin-3-ylmethyl)pyridin-2-one

4-hydroxy-6-methyl-3-[(4-methylphenyl)-piperidin-1-ylmethyl]-1-(pyridin-3-ylmethyl)pyridin-2-one (PubChem CID 54729189) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-3-[(4-methylphenyl)-piperidin-1-ylmethyl]-1-(pyridin-3-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-6-methyl-3-[(4-methylphenyl)-piperidin-1-ylmethyl]-1-(pyridin-3-ylmethyl)pyridin-2-one
PubChem CID54729189
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name4-hydroxy-6-methyl-3-[(4-methylphenyl)-piperidin-1-ylmethyl]-1-(pyridin-3-ylmethyl)pyridin-2-one
SMILESCc1ccc(C(c2c(O)cc(C)n(Cc3cccnc3)c2=O)N2CCCCC2)cc1
InChIInChI=1S/C25H29N3O2/c1-18-8-10-21(11-9-18)24(27-13-4-3-5-14-27)23-22(29)15-19(2)28(25(23)30)17-20-7-6-12-26-16-20/h6-12,15-16,24,29H,3-5,13-14,17H2,1-2H3
InChIKeyXTITWAMKPNUDPX-UHFFFAOYSA-N
XLogP4.19
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-6-methyl-3-[(4-methylphenyl)-piperidin-1-ylmethyl]-1-(pyridin-3-ylmethyl)pyridin-2-one with MolForge

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Related Compounds

1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]pyridin-2-one
CID 93478801
3-[(S)-(3-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-4-hydroxy-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one
CID 92774215
1-benzyl-4-hydroxy-6-methyl-3-[(4-phenylpiperazin-1-yl)-pyridin-4-ylmethyl]pyridin-2-one
CID 54729077
1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one
CID 54720775
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one
CID 54692672
1-benzyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 92766001
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one
CID 54692670
3-[(S)-(2-chlorophenyl)-piperidin-1-ylmethyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 92787308
1-benzyl-3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 92766008
1-ethyl-3-[(R)-(2-fluorophenyl)-piperidin-1-ylmethyl]-4-hydroxy-6-methylpyridin-2-one
CID 92787321
ethyl 4-[[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-pyridin-3-ylmethyl]piperazine-1-carboxylate
CID 54692673
3-[(R)-(3-fluorophenyl)-piperidin-1-ylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
CID 92526442

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methyl-3-[(4-methylphenyl)-piperidin-1-ylmethyl]-1-(pyridin-3-ylmethyl)pyridin-2-one?
The IUPAC name of 4-hydroxy-6-methyl-3-[(4-methylphenyl)-piperidin-1-ylmethyl]-1-(pyridin-3-ylmethyl)pyridin-2-one (CID 54729189) is 4-hydroxy-6-methyl-3-[(4-methylphenyl)-piperidin-1-ylmethyl]-1-(pyridin-3-ylmethyl)pyridin-2-one.
What is the SMILES notation for 4-hydroxy-6-methyl-3-[(4-methylphenyl)-piperidin-1-ylmethyl]-1-(pyridin-3-ylmethyl)pyridin-2-one?
The canonical SMILES for 4-hydroxy-6-methyl-3-[(4-methylphenyl)-piperidin-1-ylmethyl]-1-(pyridin-3-ylmethyl)pyridin-2-one is Cc1ccc(C(c2c(O)cc(C)n(Cc3cccnc3)c2=O)N2CCCCC2)cc1.
What is the InChIKey of 4-hydroxy-6-methyl-3-[(4-methylphenyl)-piperidin-1-ylmethyl]-1-(pyridin-3-ylmethyl)pyridin-2-one?
The InChIKey is XTITWAMKPNUDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-18-8-10-21(11-9-18)24(27-13-4-3-5-14-27)23-22(29)15-19(2)28(25(23)30)17-20-7-6-12-26-16-20/h6-12,15-16,24,29H,3-5,13-14,17H2,1-2H3.
What are the key properties of 4-hydroxy-6-methyl-3-[(4-methylphenyl)-piperidin-1-ylmethyl]-1-(pyridin-3-ylmethyl)pyridin-2-one?
4-hydroxy-6-methyl-3-[(4-methylphenyl)-piperidin-1-ylmethyl]-1-(pyridin-3-ylmethyl)pyridin-2-one has a molecular weight of 403.53 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-3-[(4-methylphenyl)-piperidin-1-ylmethyl]-1-(pyridin-3-ylmethyl)pyridin-2-one is sourced from PubChem (CID 54729189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).