1-(6-ethoxy-3-pyridinyl)-3-(oxolan-3-yl)urea

C12H17N3O3 — CID 115759514

IUPAC1-(6-ethoxy-3-pyridinyl)-3-(oxolan-3-yl)urea
SMILESCCOc1ccc(NC(=O)NC2CCOC2)cn1
InChIInChI=1S/C12H17N3O3/c1-2-18-11-4-3-9(7-13-11)14-12(16)15-10-5-6-17-8-10/h3-4,7,10H,2,5-6,8H2,1H3,(H2,14,15,16)
InChIKeyOXXROISXZBRAIF-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.39
Rot. Bonds4

About 1-(6-ethoxy-3-pyridinyl)-3-(oxolan-3-yl)urea

1-(6-ethoxy-3-pyridinyl)-3-(oxolan-3-yl)urea (PubChem CID 115759514) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(6-ethoxy-3-pyridinyl)-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-(6-ethoxy-3-pyridinyl)-3-(oxolan-3-yl)urea
PubChem CID115759514
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-(6-ethoxy-3-pyridinyl)-3-(oxolan-3-yl)urea
SMILESCCOc1ccc(NC(=O)NC2CCOC2)cn1
InChIInChI=1S/C12H17N3O3/c1-2-18-11-4-3-9(7-13-11)14-12(16)15-10-5-6-17-8-10/h3-4,7,10H,2,5-6,8H2,1H3,(H2,14,15,16)
InChIKeyOXXROISXZBRAIF-UHFFFAOYSA-N
XLogP1.39
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea
CID 115687753
1-(4-ethoxyphenyl)-3-(oxolan-3-yl)urea
CID 115758908
N-(6-ethoxy-3-pyridinyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide
CID 126781942
1-(1-ethylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)urea
CID 51081933
1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea
CID 47139424
2-methyl-2-[4-(oxolan-3-ylcarbamoylamino)phenyl]propanoic acid
CID 80549065
3-[4-(oxolan-3-ylcarbamoylamino)phenyl]butanoic acid
CID 104501854
1-(5-hydroxy-2-pyridinyl)-3-(oxolan-3-yl)urea
CID 175479949
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
1-[4-(3-methyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-5-yl)phenyl]-3-[(3S)-oxolan-3-yl]urea
CID 171801321
(2R)-2-cyclopropyl-N-(6-ethoxy-3-pyridinyl)-2-methoxypropanamide
CID 100775745
(2S)-2-cyclopropyl-N-(6-ethoxy-3-pyridinyl)-2-methoxypropanamide
CID 100775742

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxy-3-pyridinyl)-3-(oxolan-3-yl)urea?
The IUPAC name of 1-(6-ethoxy-3-pyridinyl)-3-(oxolan-3-yl)urea (CID 115759514) is 1-(6-ethoxy-3-pyridinyl)-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-(6-ethoxy-3-pyridinyl)-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-(6-ethoxy-3-pyridinyl)-3-(oxolan-3-yl)urea is CCOc1ccc(NC(=O)NC2CCOC2)cn1.
What is the InChIKey of 1-(6-ethoxy-3-pyridinyl)-3-(oxolan-3-yl)urea?
The InChIKey is OXXROISXZBRAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-2-18-11-4-3-9(7-13-11)14-12(16)15-10-5-6-17-8-10/h3-4,7,10H,2,5-6,8H2,1H3,(H2,14,15,16).
What are the key properties of 1-(6-ethoxy-3-pyridinyl)-3-(oxolan-3-yl)urea?
1-(6-ethoxy-3-pyridinyl)-3-(oxolan-3-yl)urea has a molecular weight of 251.29 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxy-3-pyridinyl)-3-(oxolan-3-yl)urea is sourced from PubChem (CID 115759514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).