N-[3-[3-fluoro-5-(pyridin-3-ylcarbamoylamino)phenoxy]propoxy]acetamide

C17H19FN4O4 — CID 91489253

IUPACN-[3-[3-fluoro-5-(pyridin-3-ylcarbamoylamino)phenoxy]propoxy]acetamide
SMILESCC(=O)NOCCCOc1cc(F)cc(NC(=O)Nc2cccnc2)c1
InChIInChI=1S/C17H19FN4O4/c1-12(23)22-26-7-3-6-25-16-9-13(18)8-15(10-16)21-17(24)20-14-4-2-5-19-11-14/h2,4-5,8-11H,3,6-7H2,1H3,(H,22,23)(H2,20,21,24)
InChIKeyLXRZJMYVWRWHJW-UHFFFAOYSA-N
MW362.36 g/mol
LogP2.70
Rot. Bonds8

About N-[3-[3-fluoro-5-(pyridin-3-ylcarbamoylamino)phenoxy]propoxy]acetamide

N-[3-[3-fluoro-5-(pyridin-3-ylcarbamoylamino)phenoxy]propoxy]acetamide (PubChem CID 91489253) has the molecular formula C17H19FN4O4 and a molecular weight of 362.36 g/mol. Its IUPAC name is N-[3-[3-fluoro-5-(pyridin-3-ylcarbamoylamino)phenoxy]propoxy]acetamide.

Molecular Properties

Compound NameN-[3-[3-fluoro-5-(pyridin-3-ylcarbamoylamino)phenoxy]propoxy]acetamide
PubChem CID91489253
Molecular FormulaC17H19FN4O4
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC NameN-[3-[3-fluoro-5-(pyridin-3-ylcarbamoylamino)phenoxy]propoxy]acetamide
SMILESCC(=O)NOCCCOc1cc(F)cc(NC(=O)Nc2cccnc2)c1
InChIInChI=1S/C17H19FN4O4/c1-12(23)22-26-7-3-6-25-16-9-13(18)8-15(10-16)21-17(24)20-14-4-2-5-19-11-14/h2,4-5,8-11H,3,6-7H2,1H3,(H,22,23)(H2,20,21,24)
InChIKeyLXRZJMYVWRWHJW-UHFFFAOYSA-N
XLogP2.70
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[2-(ethylsulfonylmethylamino)ethoxy]-5-fluorophenyl]-3-pyridin-3-ylurea
CID 67036695
1-(4-fluoro-2-methylphenyl)-3-pyridin-3-ylurea
CID 47126026
1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
CID 108865035
1-[3-[2-(4-acetylpiperazin-1-yl)ethyl]-5-fluorophenyl]-3-pyridin-3-ylurea
CID 66677011
1-[3-[2-[(N'-cyano-N,N-dimethylcarbamimidoyl)-methylamino]propan-2-yloxy]-5-fluorophenyl]-3-pyridin-3-ylurea
CID 51037834
1-[3-[[ethylsulfonyl(methyl)amino]methyl]-5-fluorophenyl]-3-pyridin-3-ylurea
CID 91571266
1-[3-fluoro-5-[(3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-3-pyridin-3-ylurea
CID 11551861
1-(3,4-difluorophenyl)-3-pyridin-3-ylurea
CID 24535904
N-[3-(4-oxopentoxy)phenyl]acetamide
CID 62030070
1-[2-(2-fluorophenoxy)ethyl]-3-pyridin-3-ylurea
CID 18101867
1-[3-[[(7aS)-3-oxo-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-yl]oxy]-5-fluorophenyl]-3-pyridin-3-ylurea
CID 11726617
1-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-3-ylurea
CID 108865005

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-fluoro-5-(pyridin-3-ylcarbamoylamino)phenoxy]propoxy]acetamide?
The IUPAC name of N-[3-[3-fluoro-5-(pyridin-3-ylcarbamoylamino)phenoxy]propoxy]acetamide (CID 91489253) is N-[3-[3-fluoro-5-(pyridin-3-ylcarbamoylamino)phenoxy]propoxy]acetamide.
What is the SMILES notation for N-[3-[3-fluoro-5-(pyridin-3-ylcarbamoylamino)phenoxy]propoxy]acetamide?
The canonical SMILES for N-[3-[3-fluoro-5-(pyridin-3-ylcarbamoylamino)phenoxy]propoxy]acetamide is CC(=O)NOCCCOc1cc(F)cc(NC(=O)Nc2cccnc2)c1.
What is the InChIKey of N-[3-[3-fluoro-5-(pyridin-3-ylcarbamoylamino)phenoxy]propoxy]acetamide?
The InChIKey is LXRZJMYVWRWHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O4/c1-12(23)22-26-7-3-6-25-16-9-13(18)8-15(10-16)21-17(24)20-14-4-2-5-19-11-14/h2,4-5,8-11H,3,6-7H2,1H3,(H,22,23)(H2,20,21,24).
What are the key properties of N-[3-[3-fluoro-5-(pyridin-3-ylcarbamoylamino)phenoxy]propoxy]acetamide?
N-[3-[3-fluoro-5-(pyridin-3-ylcarbamoylamino)phenoxy]propoxy]acetamide has a molecular weight of 362.36 g/mol, XLogP of 2.70, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-fluoro-5-(pyridin-3-ylcarbamoylamino)phenoxy]propoxy]acetamide is sourced from PubChem (CID 91489253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).