6-[4-[(3-ethyl-2-pyridinyl)oxy]phenyl]-1,5-dimethyl-1,3-diazinane-2,4-dione

C19H21N3O3 — CID 162369132

IUPAC6-[4-[(3-ethyl-2-pyridinyl)oxy]phenyl]-1,5-dimethyl-1,3-diazinane-2,4-dione
SMILESCCc1cccnc1Oc1ccc(C2C(C)C(=O)NC(=O)N2C)cc1
InChIInChI=1S/C19H21N3O3/c1-4-13-6-5-11-20-18(13)25-15-9-7-14(8-10-15)16-12(2)17(23)21-19(24)22(16)3/h5-12,16H,4H2,1-3H3,(H,21,23,24)
InChIKeyVJECMXPIXITQEM-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.30
Rot. Bonds4

About 6-[4-[(3-ethyl-2-pyridinyl)oxy]phenyl]-1,5-dimethyl-1,3-diazinane-2,4-dione

6-[4-[(3-ethyl-2-pyridinyl)oxy]phenyl]-1,5-dimethyl-1,3-diazinane-2,4-dione (PubChem CID 162369132) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-[4-[(3-ethyl-2-pyridinyl)oxy]phenyl]-1,5-dimethyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-[4-[(3-ethyl-2-pyridinyl)oxy]phenyl]-1,5-dimethyl-1,3-diazinane-2,4-dione
PubChem CID162369132
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name6-[4-[(3-ethyl-2-pyridinyl)oxy]phenyl]-1,5-dimethyl-1,3-diazinane-2,4-dione
SMILESCCc1cccnc1Oc1ccc(C2C(C)C(=O)NC(=O)N2C)cc1
InChIInChI=1S/C19H21N3O3/c1-4-13-6-5-11-20-18(13)25-15-9-7-14(8-10-15)16-12(2)17(23)21-19(24)22(16)3/h5-12,16H,4H2,1-3H3,(H,21,23,24)
InChIKeyVJECMXPIXITQEM-UHFFFAOYSA-N
XLogP3.30
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3-ethyl-2-pyridinyl)oxy]phenyl]-1,5-dimethyl-1,3-diazinane-2,4-dione?
The IUPAC name of 6-[4-[(3-ethyl-2-pyridinyl)oxy]phenyl]-1,5-dimethyl-1,3-diazinane-2,4-dione (CID 162369132) is 6-[4-[(3-ethyl-2-pyridinyl)oxy]phenyl]-1,5-dimethyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-[4-[(3-ethyl-2-pyridinyl)oxy]phenyl]-1,5-dimethyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-[4-[(3-ethyl-2-pyridinyl)oxy]phenyl]-1,5-dimethyl-1,3-diazinane-2,4-dione is CCc1cccnc1Oc1ccc(C2C(C)C(=O)NC(=O)N2C)cc1.
What is the InChIKey of 6-[4-[(3-ethyl-2-pyridinyl)oxy]phenyl]-1,5-dimethyl-1,3-diazinane-2,4-dione?
The InChIKey is VJECMXPIXITQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-4-13-6-5-11-20-18(13)25-15-9-7-14(8-10-15)16-12(2)17(23)21-19(24)22(16)3/h5-12,16H,4H2,1-3H3,(H,21,23,24).
What are the key properties of 6-[4-[(3-ethyl-2-pyridinyl)oxy]phenyl]-1,5-dimethyl-1,3-diazinane-2,4-dione?
6-[4-[(3-ethyl-2-pyridinyl)oxy]phenyl]-1,5-dimethyl-1,3-diazinane-2,4-dione has a molecular weight of 339.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3-ethyl-2-pyridinyl)oxy]phenyl]-1,5-dimethyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 162369132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).