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

C23H27N3O3 — CID 54692764

IUPAC1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one
SMILESCc1cc(O)c(C(c2cccnc2)N2CCC(C)CC2)c(=O)n1Cc1ccco1
InChIInChI=1S/C23H27N3O3/c1-16-7-10-25(11-8-16)22(18-5-3-9-24-14-18)21-20(27)13-17(2)26(23(21)28)15-19-6-4-12-29-19/h3-6,9,12-14,16,22,27H,7-8,10-11,15H2,1-2H3
InChIKeyHNXNZIJBECSYRE-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.72
Rot. Bonds5

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

1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one (PubChem CID 54692764) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one
PubChem CID54692764
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one
SMILESCc1cc(O)c(C(c2cccnc2)N2CCC(C)CC2)c(=O)n1Cc1ccco1
InChIInChI=1S/C23H27N3O3/c1-16-7-10-25(11-8-16)22(18-5-3-9-24-14-18)21-20(27)13-17(2)26(23(21)28)15-19-6-4-12-29-19/h3-6,9,12-14,16,22,27H,7-8,10-11,15H2,1-2H3
InChIKeyHNXNZIJBECSYRE-UHFFFAOYSA-N
XLogP3.72
TPSA71.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one?
The IUPAC name of 1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one (CID 54692764) is 1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one is Cc1cc(O)c(C(c2cccnc2)N2CCC(C)CC2)c(=O)n1Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one?
The InChIKey is HNXNZIJBECSYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-16-7-10-25(11-8-16)22(18-5-3-9-24-14-18)21-20(27)13-17(2)26(23(21)28)15-19-6-4-12-29-19/h3-6,9,12-14,16,22,27H,7-8,10-11,15H2,1-2H3.
What are the key properties of 1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one?
1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one has a molecular weight of 393.49 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one is sourced from PubChem (CID 54692764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).