4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one

C21H29N3O3 — CID 54692670

IUPAC4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one
SMILESCOCCn1c(C)cc(O)c(C(c2cccnc2)N2CCC(C)CC2)c1=O
InChIInChI=1S/C21H29N3O3/c1-15-6-9-23(10-7-15)20(17-5-4-8-22-14-17)19-18(25)13-16(2)24(21(19)26)11-12-27-3/h4-5,8,13-15,20,25H,6-7,9-12H2,1-3H3
InChIKeyKDNAAQDWKNZHNM-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.73
Rot. Bonds6

About 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one

4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one (PubChem CID 54692670) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one
PubChem CID54692670
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one
SMILESCOCCn1c(C)cc(O)c(C(c2cccnc2)N2CCC(C)CC2)c1=O
InChIInChI=1S/C21H29N3O3/c1-15-6-9-23(10-7-15)20(17-5-4-8-22-14-17)19-18(25)13-16(2)24(21(19)26)11-12-27-3/h4-5,8,13-15,20,25H,6-7,9-12H2,1-3H3
InChIKeyKDNAAQDWKNZHNM-UHFFFAOYSA-N
XLogP2.73
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one?
The IUPAC name of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one (CID 54692670) is 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one.
What is the SMILES notation for 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one?
The canonical SMILES for 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one is COCCn1c(C)cc(O)c(C(c2cccnc2)N2CCC(C)CC2)c1=O.
What is the InChIKey of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one?
The InChIKey is KDNAAQDWKNZHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-15-6-9-23(10-7-15)20(17-5-4-8-22-14-17)19-18(25)13-16(2)24(21(19)26)11-12-27-3/h4-5,8,13-15,20,25H,6-7,9-12H2,1-3H3.
What are the key properties of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one?
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one has a molecular weight of 371.48 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one is sourced from PubChem (CID 54692670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).