ethane;1-(3-ethyl-5-fluoro-4-pyridinyl)-3-methoxyurea

C11H18FN3O2 — CID 145443363

IUPACethane;1-(3-ethyl-5-fluoro-4-pyridinyl)-3-methoxyurea
SMILESCC.CCc1cncc(F)c1NC(=O)NOC
InChIInChI=1S/C9H12FN3O2.C2H6/c1-3-6-4-11-5-7(10)8(6)12-9(14)13-15-2;1-2/h4-5H,3H2,1-2H3,(H2,11,12,13,14);1-2H3
InChIKeyDYSXNRNFTGODGK-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.49
Rot. Bonds3

About ethane;1-(3-ethyl-5-fluoro-4-pyridinyl)-3-methoxyurea

ethane;1-(3-ethyl-5-fluoro-4-pyridinyl)-3-methoxyurea (PubChem CID 145443363) has the molecular formula C11H18FN3O2 and a molecular weight of 243.28 g/mol. Its IUPAC name is ethane;1-(3-ethyl-5-fluoro-4-pyridinyl)-3-methoxyurea.

Molecular Properties

Compound Nameethane;1-(3-ethyl-5-fluoro-4-pyridinyl)-3-methoxyurea
PubChem CID145443363
Molecular FormulaC11H18FN3O2
Molecular Weight243.28 g/mol
Exact Mass243.14
IUPAC Nameethane;1-(3-ethyl-5-fluoro-4-pyridinyl)-3-methoxyurea
SMILESCC.CCc1cncc(F)c1NC(=O)NOC
InChIInChI=1S/C9H12FN3O2.C2H6/c1-3-6-4-11-5-7(10)8(6)12-9(14)13-15-2;1-2/h4-5H,3H2,1-2H3,(H2,11,12,13,14);1-2H3
InChIKeyDYSXNRNFTGODGK-UHFFFAOYSA-N
XLogP2.49
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-(3-fluoro-5-methyl-4-pyridinyl)carbamate
CID 137390539
methyl 2-(4,5-difluoro-3-pyridinyl)acetate
CID 130779119
1-methoxy-3-(5-methyl-3-pyridinyl)urea
CID 131084336
methyl 2-(5-fluoro-4-iodo-3-pyridinyl)acetate
CID 131029040
N-(3-fluoro-5-propan-2-yl-4-pyridinyl)-2-methoxyacetamide
CID 148558430
1-(5-fluoro-3-methyl-2-pyridinyl)-3-methoxyurea
CID 134178068
methyl 2-[5-amino-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134673231
methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134671472
ethane;N-[(3-fluoro-4-pyridinyl)methyl]acetamide
CID 171522941
methyl 2-(3-fluoro-5-iodo-4-pyridinyl)acetate
CID 130837858
1-[2-[1-(disulfanyl)ethyl]-3,4,6-trifluorophenyl]-3-methoxyurea
CID 134267229
N-(3-fluoro-4-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 75482660

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-ethyl-5-fluoro-4-pyridinyl)-3-methoxyurea?
The IUPAC name of ethane;1-(3-ethyl-5-fluoro-4-pyridinyl)-3-methoxyurea (CID 145443363) is ethane;1-(3-ethyl-5-fluoro-4-pyridinyl)-3-methoxyurea.
What is the SMILES notation for ethane;1-(3-ethyl-5-fluoro-4-pyridinyl)-3-methoxyurea?
The canonical SMILES for ethane;1-(3-ethyl-5-fluoro-4-pyridinyl)-3-methoxyurea is CC.CCc1cncc(F)c1NC(=O)NOC.
What is the InChIKey of ethane;1-(3-ethyl-5-fluoro-4-pyridinyl)-3-methoxyurea?
The InChIKey is DYSXNRNFTGODGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O2.C2H6/c1-3-6-4-11-5-7(10)8(6)12-9(14)13-15-2;1-2/h4-5H,3H2,1-2H3,(H2,11,12,13,14);1-2H3.
What are the key properties of ethane;1-(3-ethyl-5-fluoro-4-pyridinyl)-3-methoxyurea?
ethane;1-(3-ethyl-5-fluoro-4-pyridinyl)-3-methoxyurea has a molecular weight of 243.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-ethyl-5-fluoro-4-pyridinyl)-3-methoxyurea is sourced from PubChem (CID 145443363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).