1-cyclohexyl-3-[5-(prop-2-enylamino)-2-pyridinyl]urea

C15H22N4O — CID 113023884

IUPAC1-cyclohexyl-3-[5-(prop-2-enylamino)-2-pyridinyl]urea
SMILESC=CCNc1ccc(NC(=O)NC2CCCCC2)nc1
InChIInChI=1S/C15H22N4O/c1-2-10-16-13-8-9-14(17-11-13)19-15(20)18-12-6-4-3-5-7-12/h2,8-9,11-12,16H,1,3-7,10H2,(H2,17,18,19,20)
InChIKeyXIODIRMIIHACTF-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.13
Rot. Bonds5

About 1-cyclohexyl-3-[5-(prop-2-enylamino)-2-pyridinyl]urea

1-cyclohexyl-3-[5-(prop-2-enylamino)-2-pyridinyl]urea (PubChem CID 113023884) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-[5-(prop-2-enylamino)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[5-(prop-2-enylamino)-2-pyridinyl]urea
PubChem CID113023884
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-cyclohexyl-3-[5-(prop-2-enylamino)-2-pyridinyl]urea
SMILESC=CCNc1ccc(NC(=O)NC2CCCCC2)nc1
InChIInChI=1S/C15H22N4O/c1-2-10-16-13-8-9-14(17-11-13)19-15(20)18-12-6-4-3-5-7-12/h2,8-9,11-12,16H,1,3-7,10H2,(H2,17,18,19,20)
InChIKeyXIODIRMIIHACTF-UHFFFAOYSA-N
XLogP3.13
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(benzylamino)-2-pyridinyl]-3-cyclohexylurea
CID 113026418
1-cyclohexyl-3-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]urea
CID 113026734
1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea
CID 113009249
1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea
CID 113014951
1-cyclohexyl-3-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]urea
CID 113028217
2-amino-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide
CID 39178299
1-cyclohexyl-3-[5-(1-phenylethylamino)-2-pyridinyl]urea
CID 113026834
1-cyclohexyl-3-[6-(4-fluoroanilino)-3-pyridinyl]urea
CID 113018351
1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-cyclopropylurea
CID 113027296
1-(5-cyano-2-pyridinyl)-3-cyclohexylurea
CID 55063233
1-cyclohexyl-3-[6-(furan-2-ylmethylamino)-3-pyridinyl]urea
CID 113011360
N-[4-[[6-(cyclohexylcarbamoylamino)pyridazin-3-yl]amino]phenyl]acetamide
CID 113049312

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[5-(prop-2-enylamino)-2-pyridinyl]urea?
The IUPAC name of 1-cyclohexyl-3-[5-(prop-2-enylamino)-2-pyridinyl]urea (CID 113023884) is 1-cyclohexyl-3-[5-(prop-2-enylamino)-2-pyridinyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[5-(prop-2-enylamino)-2-pyridinyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[5-(prop-2-enylamino)-2-pyridinyl]urea is C=CCNc1ccc(NC(=O)NC2CCCCC2)nc1.
What is the InChIKey of 1-cyclohexyl-3-[5-(prop-2-enylamino)-2-pyridinyl]urea?
The InChIKey is XIODIRMIIHACTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-2-10-16-13-8-9-14(17-11-13)19-15(20)18-12-6-4-3-5-7-12/h2,8-9,11-12,16H,1,3-7,10H2,(H2,17,18,19,20).
What are the key properties of 1-cyclohexyl-3-[5-(prop-2-enylamino)-2-pyridinyl]urea?
1-cyclohexyl-3-[5-(prop-2-enylamino)-2-pyridinyl]urea has a molecular weight of 274.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[5-(prop-2-enylamino)-2-pyridinyl]urea is sourced from PubChem (CID 113023884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).