[4-amino-5-(4-fluorobenzenecarboximidoyl)-2-pyridinyl]urea

C13H12FN5O — CID 134388543

IUPAC[4-amino-5-(4-fluorobenzenecarboximidoyl)-2-pyridinyl]urea
SMILES[H]/N=C(\c1ccc(F)cc1)c1cnc(NC(N)=O)cc1N
InChIInChI=1S/C13H12FN5O/c14-8-3-1-7(2-4-8)12(16)9-6-18-11(5-10(9)15)19-13(17)20/h1-6,16H,(H5,15,17,18,19,20)/b16-12+
InChIKeyLBLTWRWAQOKMGE-FOWTUZBSSA-N
MW273.27 g/mol
LogP1.71
Rot. Bonds3

About [4-amino-5-(4-fluorobenzenecarboximidoyl)-2-pyridinyl]urea

[4-amino-5-(4-fluorobenzenecarboximidoyl)-2-pyridinyl]urea (PubChem CID 134388543) has the molecular formula C13H12FN5O and a molecular weight of 273.27 g/mol. Its IUPAC name is [4-amino-5-(4-fluorobenzenecarboximidoyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name[4-amino-5-(4-fluorobenzenecarboximidoyl)-2-pyridinyl]urea
PubChem CID134388543
Molecular FormulaC13H12FN5O
Molecular Weight273.27 g/mol
Exact Mass273.10
IUPAC Name[4-amino-5-(4-fluorobenzenecarboximidoyl)-2-pyridinyl]urea
SMILES[H]/N=C(\c1ccc(F)cc1)c1cnc(NC(N)=O)cc1N
InChIInChI=1S/C13H12FN5O/c14-8-3-1-7(2-4-8)12(16)9-6-18-11(5-10(9)15)19-13(17)20/h1-6,16H,(H5,15,17,18,19,20)/b16-12+
InChIKeyLBLTWRWAQOKMGE-FOWTUZBSSA-N
XLogP1.71
TPSA117.88 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-amino-5-(4-fluorobenzenecarboximidoyl)-2-pyridinyl]urea?
The IUPAC name of [4-amino-5-(4-fluorobenzenecarboximidoyl)-2-pyridinyl]urea (CID 134388543) is [4-amino-5-(4-fluorobenzenecarboximidoyl)-2-pyridinyl]urea.
What is the SMILES notation for [4-amino-5-(4-fluorobenzenecarboximidoyl)-2-pyridinyl]urea?
The canonical SMILES for [4-amino-5-(4-fluorobenzenecarboximidoyl)-2-pyridinyl]urea is [H]/N=C(\c1ccc(F)cc1)c1cnc(NC(N)=O)cc1N.
What is the InChIKey of [4-amino-5-(4-fluorobenzenecarboximidoyl)-2-pyridinyl]urea?
The InChIKey is LBLTWRWAQOKMGE-FOWTUZBSSA-N. The full InChI is InChI=1S/C13H12FN5O/c14-8-3-1-7(2-4-8)12(16)9-6-18-11(5-10(9)15)19-13(17)20/h1-6,16H,(H5,15,17,18,19,20)/b16-12+.
What are the key properties of [4-amino-5-(4-fluorobenzenecarboximidoyl)-2-pyridinyl]urea?
[4-amino-5-(4-fluorobenzenecarboximidoyl)-2-pyridinyl]urea has a molecular weight of 273.27 g/mol, XLogP of 1.71, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-5-(4-fluorobenzenecarboximidoyl)-2-pyridinyl]urea is sourced from PubChem (CID 134388543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).