5-(diethylaminomethyl)-2-ethyl-3-phenylmethoxy-1H-pyridin-4-one

C19H26N2O2 — CID 42631078

IUPAC5-(diethylaminomethyl)-2-ethyl-3-phenylmethoxy-1H-pyridin-4-one
SMILESCCc1[nH]cc(CN(CC)CC)c(=O)c1OCc1ccccc1
InChIInChI=1S/C19H26N2O2/c1-4-17-19(23-14-15-10-8-7-9-11-15)18(22)16(12-20-17)13-21(5-2)6-3/h7-12H,4-6,13-14H2,1-3H3,(H,20,22)
InChIKeyOMVCZLCQQKCOPD-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.36
Rot. Bonds8

About 5-(diethylaminomethyl)-2-ethyl-3-phenylmethoxy-1H-pyridin-4-one

5-(diethylaminomethyl)-2-ethyl-3-phenylmethoxy-1H-pyridin-4-one (PubChem CID 42631078) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 5-(diethylaminomethyl)-2-ethyl-3-phenylmethoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name5-(diethylaminomethyl)-2-ethyl-3-phenylmethoxy-1H-pyridin-4-one
PubChem CID42631078
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name5-(diethylaminomethyl)-2-ethyl-3-phenylmethoxy-1H-pyridin-4-one
SMILESCCc1[nH]cc(CN(CC)CC)c(=O)c1OCc1ccccc1
InChIInChI=1S/C19H26N2O2/c1-4-17-19(23-14-15-10-8-7-9-11-15)18(22)16(12-20-17)13-21(5-2)6-3/h7-12H,4-6,13-14H2,1-3H3,(H,20,22)
InChIKeyOMVCZLCQQKCOPD-UHFFFAOYSA-N
XLogP3.36
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylaminomethyl)-2-ethyl-3-phenylmethoxy-1H-pyridin-4-one?
The IUPAC name of 5-(diethylaminomethyl)-2-ethyl-3-phenylmethoxy-1H-pyridin-4-one (CID 42631078) is 5-(diethylaminomethyl)-2-ethyl-3-phenylmethoxy-1H-pyridin-4-one.
What is the SMILES notation for 5-(diethylaminomethyl)-2-ethyl-3-phenylmethoxy-1H-pyridin-4-one?
The canonical SMILES for 5-(diethylaminomethyl)-2-ethyl-3-phenylmethoxy-1H-pyridin-4-one is CCc1[nH]cc(CN(CC)CC)c(=O)c1OCc1ccccc1.
What is the InChIKey of 5-(diethylaminomethyl)-2-ethyl-3-phenylmethoxy-1H-pyridin-4-one?
The InChIKey is OMVCZLCQQKCOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-4-17-19(23-14-15-10-8-7-9-11-15)18(22)16(12-20-17)13-21(5-2)6-3/h7-12H,4-6,13-14H2,1-3H3,(H,20,22).
What are the key properties of 5-(diethylaminomethyl)-2-ethyl-3-phenylmethoxy-1H-pyridin-4-one?
5-(diethylaminomethyl)-2-ethyl-3-phenylmethoxy-1H-pyridin-4-one has a molecular weight of 314.43 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylaminomethyl)-2-ethyl-3-phenylmethoxy-1H-pyridin-4-one is sourced from PubChem (CID 42631078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).