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

C17H27N3O2 — CID 82217874

IUPAC1-cyclopropyl-3-hydroxy-6-methyl-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one
SMILESCc1cc(=O)c(O)c(CN(C)C2CCN(C)CC2)n1C1CC1
InChIInChI=1S/C17H27N3O2/c1-12-10-16(21)17(22)15(20(12)14-4-5-14)11-19(3)13-6-8-18(2)9-7-13/h10,13-14,22H,4-9,11H2,1-3H3
InChIKeyUQRXQRYOSXVHQB-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.72
Rot. Bonds4

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

1-cyclopropyl-3-hydroxy-6-methyl-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one (PubChem CID 82217874) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-cyclopropyl-3-hydroxy-6-methyl-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-3-hydroxy-6-methyl-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one
PubChem CID82217874
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-cyclopropyl-3-hydroxy-6-methyl-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one
SMILESCc1cc(=O)c(O)c(CN(C)C2CCN(C)CC2)n1C1CC1
InChIInChI=1S/C17H27N3O2/c1-12-10-16(21)17(22)15(20(12)14-4-5-14)11-19(3)13-6-8-18(2)9-7-13/h10,13-14,22H,4-9,11H2,1-3H3
InChIKeyUQRXQRYOSXVHQB-UHFFFAOYSA-N
XLogP1.72
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-hydroxy-6-methyl-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one?
The IUPAC name of 1-cyclopropyl-3-hydroxy-6-methyl-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one (CID 82217874) is 1-cyclopropyl-3-hydroxy-6-methyl-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one.
What is the SMILES notation for 1-cyclopropyl-3-hydroxy-6-methyl-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one?
The canonical SMILES for 1-cyclopropyl-3-hydroxy-6-methyl-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one is Cc1cc(=O)c(O)c(CN(C)C2CCN(C)CC2)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-hydroxy-6-methyl-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one?
The InChIKey is UQRXQRYOSXVHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12-10-16(21)17(22)15(20(12)14-4-5-14)11-19(3)13-6-8-18(2)9-7-13/h10,13-14,22H,4-9,11H2,1-3H3.
What are the key properties of 1-cyclopropyl-3-hydroxy-6-methyl-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one?
1-cyclopropyl-3-hydroxy-6-methyl-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one has a molecular weight of 305.42 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-hydroxy-6-methyl-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one is sourced from PubChem (CID 82217874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).