1-cyclohexyl-3-(pyridine-3-carbonylamino)urea

C13H18N4O2 — CID 790261

IUPAC1-cyclohexyl-3-(pyridine-3-carbonylamino)urea
SMILESO=C(NNC(=O)c1cccnc1)NC1CCCCC1
InChIInChI=1S/C13H18N4O2/c18-12(10-5-4-8-14-9-10)16-17-13(19)15-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7H2,(H,16,18)(H2,15,17,19)
InChIKeyMFQNQBUVMHVFHN-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.36
Rot. Bonds2

About 1-cyclohexyl-3-(pyridine-3-carbonylamino)urea

1-cyclohexyl-3-(pyridine-3-carbonylamino)urea (PubChem CID 790261) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-cyclohexyl-3-(pyridine-3-carbonylamino)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(pyridine-3-carbonylamino)urea
PubChem CID790261
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name1-cyclohexyl-3-(pyridine-3-carbonylamino)urea
SMILESO=C(NNC(=O)c1cccnc1)NC1CCCCC1
InChIInChI=1S/C13H18N4O2/c18-12(10-5-4-8-14-9-10)16-17-13(19)15-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7H2,(H,16,18)(H2,15,17,19)
InChIKeyMFQNQBUVMHVFHN-UHFFFAOYSA-N
XLogP1.36
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(pyridine-3-carbonylamino)urea?
The IUPAC name of 1-cyclohexyl-3-(pyridine-3-carbonylamino)urea (CID 790261) is 1-cyclohexyl-3-(pyridine-3-carbonylamino)urea.
What is the SMILES notation for 1-cyclohexyl-3-(pyridine-3-carbonylamino)urea?
The canonical SMILES for 1-cyclohexyl-3-(pyridine-3-carbonylamino)urea is O=C(NNC(=O)c1cccnc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(pyridine-3-carbonylamino)urea?
The InChIKey is MFQNQBUVMHVFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-12(10-5-4-8-14-9-10)16-17-13(19)15-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7H2,(H,16,18)(H2,15,17,19).
What are the key properties of 1-cyclohexyl-3-(pyridine-3-carbonylamino)urea?
1-cyclohexyl-3-(pyridine-3-carbonylamino)urea has a molecular weight of 262.31 g/mol, XLogP of 1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(pyridine-3-carbonylamino)urea is sourced from PubChem (CID 790261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).