1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea

C19H23N3O3 — CID 75438824

IUPAC1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea
SMILESCOCCn1cc(NC(=O)NC2(C)Cc3ccccc3C2)ccc1=O
InChIInChI=1S/C19H23N3O3/c1-19(11-14-5-3-4-6-15(14)12-19)21-18(24)20-16-7-8-17(23)22(13-16)9-10-25-2/h3-8,13H,9-12H2,1-2H3,(H2,20,21,24)
InChIKeyGZINVYFYXOGGET-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.17
Rot. Bonds5

About 1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea

1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea (PubChem CID 75438824) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea
PubChem CID75438824
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea
SMILESCOCCn1cc(NC(=O)NC2(C)Cc3ccccc3C2)ccc1=O
InChIInChI=1S/C19H23N3O3/c1-19(11-14-5-3-4-6-15(14)12-19)21-18(24)20-16-7-8-17(23)22(13-16)9-10-25-2/h3-8,13H,9-12H2,1-2H3,(H2,20,21,24)
InChIKeyGZINVYFYXOGGET-UHFFFAOYSA-N
XLogP2.17
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea?
The IUPAC name of 1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea (CID 75438824) is 1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea.
What is the SMILES notation for 1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea?
The canonical SMILES for 1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea is COCCn1cc(NC(=O)NC2(C)Cc3ccccc3C2)ccc1=O.
What is the InChIKey of 1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea?
The InChIKey is GZINVYFYXOGGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-19(11-14-5-3-4-6-15(14)12-19)21-18(24)20-16-7-8-17(23)22(13-16)9-10-25-2/h3-8,13H,9-12H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea?
1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea has a molecular weight of 341.41 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea is sourced from PubChem (CID 75438824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).