1-[2-(2-methoxyethoxy)-3-pyridinyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea

C15H23N3O4 — CID 95568571

IUPAC1-[2-(2-methoxyethoxy)-3-pyridinyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
SMILESCOCCOc1ncccc1NC(=O)N[C@@H](C)[C@@H]1CCCO1
InChIInChI=1S/C15H23N3O4/c1-11(13-6-4-8-21-13)17-15(19)18-12-5-3-7-16-14(12)22-10-9-20-2/h3,5,7,11,13H,4,6,8-10H2,1-2H3,(H2,17,18,19)/t11-,13-/m0/s1
InChIKeyXJZLRVLCUFWMPM-AAEUAGOBSA-N
MW309.37 g/mol
LogP1.80
Rot. Bonds7

About 1-[2-(2-methoxyethoxy)-3-pyridinyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea

1-[2-(2-methoxyethoxy)-3-pyridinyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea (PubChem CID 95568571) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)-3-pyridinyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)-3-pyridinyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
PubChem CID95568571
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name1-[2-(2-methoxyethoxy)-3-pyridinyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
SMILESCOCCOc1ncccc1NC(=O)N[C@@H](C)[C@@H]1CCCO1
InChIInChI=1S/C15H23N3O4/c1-11(13-6-4-8-21-13)17-15(19)18-12-5-3-7-16-14(12)22-10-9-20-2/h3,5,7,11,13H,4,6,8-10H2,1-2H3,(H2,17,18,19)/t11-,13-/m0/s1
InChIKeyXJZLRVLCUFWMPM-AAEUAGOBSA-N
XLogP1.80
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(3R)-1-(dimethylsulfamoyl)pyrrolidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea
CID 10047913
1-(2-Ethoxyphenyl)-3-(6-methoxypyridin-3-yl)urea
CID 2815596
1-(4-Ethoxyphenyl)-3-pyridin-3-ylurea
CID 6466560
N-(3-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
CID 90643572
1-(2-Methoxyphenyl)-3-pyridin-3-ylurea
CID 808190
1-(2-Ethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 6470367
1-(3-(3-Morpholinopropoxy)phenyl)-3-(pyridin-3-yl)urea
CID 25014695
Urea, 3-(6-butoxy-3-pyridyl)-1,1-dimethyl-
CID 99419
2-(Pentyloxy)pyridin-3-amine
CID 43274913
2-(2-Methoxyethoxy)pyridin-3-amine
CID 18070218
2-(Propan-2-yloxy)pyridin-3-amine
CID 21850847
(R)-tert-Butyl 3-(5-aminopyridin-2-yloxy)pyrrolidine-1-carboxylate
CID 53255915

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)-3-pyridinyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea?
The IUPAC name of 1-[2-(2-methoxyethoxy)-3-pyridinyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea (CID 95568571) is 1-[2-(2-methoxyethoxy)-3-pyridinyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)-3-pyridinyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea?
The canonical SMILES for 1-[2-(2-methoxyethoxy)-3-pyridinyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea is COCCOc1ncccc1NC(=O)N[C@@H](C)[C@@H]1CCCO1.
What is the InChIKey of 1-[2-(2-methoxyethoxy)-3-pyridinyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea?
The InChIKey is XJZLRVLCUFWMPM-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-11(13-6-4-8-21-13)17-15(19)18-12-5-3-7-16-14(12)22-10-9-20-2/h3,5,7,11,13H,4,6,8-10H2,1-2H3,(H2,17,18,19)/t11-,13-/m0/s1.
What are the key properties of 1-[2-(2-methoxyethoxy)-3-pyridinyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea?
1-[2-(2-methoxyethoxy)-3-pyridinyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea has a molecular weight of 309.37 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)-3-pyridinyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea is sourced from PubChem (CID 95568571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).