5-methyl-3-[[1-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one

C18H24N4O2 — CID 126940809

IUPAC5-methyl-3-[[1-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(Cc3cccc(=O)n3C)CC2)c1=O
InChIInChI=1S/C18H24N4O2/c1-14-10-19-13-22(18(14)24)11-15-6-8-21(9-7-15)12-16-4-3-5-17(23)20(16)2/h3-5,10,13,15H,6-9,11-12H2,1-2H3
InChIKeyNNZQIYSJDMTHEF-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.16
Rot. Bonds4

About 5-methyl-3-[[1-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one

5-methyl-3-[[1-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126940809) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-methyl-3-[[1-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3-[[1-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126940809
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name5-methyl-3-[[1-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(Cc3cccc(=O)n3C)CC2)c1=O
InChIInChI=1S/C18H24N4O2/c1-14-10-19-13-22(18(14)24)11-15-6-8-21(9-7-15)12-16-4-3-5-17(23)20(16)2/h3-5,10,13,15H,6-9,11-12H2,1-2H3
InChIKeyNNZQIYSJDMTHEF-UHFFFAOYSA-N
XLogP1.16
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 45851301
CID 45851301
CID 126943352
CID 126943352
CID 126943564
CID 126943564
CID 126943568
CID 126943568
CID 126943569
CID 126943569
CID 126943570
CID 126943570
CID 126943571
CID 126943571
CID 126943573
CID 126943573
CID 126943578
CID 126943578
CID 126943593
CID 126943593
CID 126943594
CID 126943594
CID 126943595
CID 126943595

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[1-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5-methyl-3-[[1-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126940809) is 5-methyl-3-[[1-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-3-[[1-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5-methyl-3-[[1-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is Cc1cncn(CC2CCN(Cc3cccc(=O)n3C)CC2)c1=O.
What is the InChIKey of 5-methyl-3-[[1-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is NNZQIYSJDMTHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14-10-19-13-22(18(14)24)11-15-6-8-21(9-7-15)12-16-4-3-5-17(23)20(16)2/h3-5,10,13,15H,6-9,11-12H2,1-2H3.
What are the key properties of 5-methyl-3-[[1-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
5-methyl-3-[[1-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 328.42 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[1-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126940809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).