1-cyclohexyl-3-(pyridin-4-ylmethylideneamino)urea

C13H18N4O — CID 2407544

IUPAC1-cyclohexyl-3-(pyridin-4-ylmethylideneamino)urea
SMILESO=C(NN=Cc1ccncc1)NC1CCCCC1
InChIInChI=1S/C13H18N4O/c18-13(16-12-4-2-1-3-5-12)17-15-10-11-6-8-14-9-7-11/h6-10,12H,1-5H2,(H2,16,17,18)
InChIKeyBCJNWMPGTQFEIM-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.05
Rot. Bonds3

About 1-cyclohexyl-3-(pyridin-4-ylmethylideneamino)urea

1-cyclohexyl-3-(pyridin-4-ylmethylideneamino)urea (PubChem CID 2407544) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-cyclohexyl-3-(pyridin-4-ylmethylideneamino)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(pyridin-4-ylmethylideneamino)urea
PubChem CID2407544
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-cyclohexyl-3-(pyridin-4-ylmethylideneamino)urea
SMILESO=C(NN=Cc1ccncc1)NC1CCCCC1
InChIInChI=1S/C13H18N4O/c18-13(16-12-4-2-1-3-5-12)17-15-10-11-6-8-14-9-7-11/h6-10,12H,1-5H2,(H2,16,17,18)
InChIKeyBCJNWMPGTQFEIM-UHFFFAOYSA-N
XLogP2.05
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-3-(pyridin-4-ylmethylideneamino)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea
CID 54600785
1-cyclohexyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]urea
CID 2467512
N-(pyridin-4-ylmethylideneamino)cyclobutanecarboxamide
CID 54518207
1-cyclohexyl-3-[(5-methylfuran-2-yl)methylideneamino]urea
CID 2495861
[(E)-pyridin-4-ylmethylideneamino]carbamic acid
CID 19830229
N'-[(Z)-(4-bromophenyl)methylideneamino]-N-cyclohexyloxamide
CID 94844327
[(E)-pyridin-4-ylmethylideneamino]carbamic acid;hydrate
CID 88512822
N-cyclopentyl-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 136863405
N-cyclohexylpyridine-4-carboxamide
CID 3436730
1-[[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-3-cyclohexylurea
CID 2354541
N-cycloheptyl-N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxamide
CID 6290483
1-cyclohexyl-3-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]urea
CID 6904466

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(pyridin-4-ylmethylideneamino)urea?
The IUPAC name of 1-cyclohexyl-3-(pyridin-4-ylmethylideneamino)urea (CID 2407544) is 1-cyclohexyl-3-(pyridin-4-ylmethylideneamino)urea.
What is the SMILES notation for 1-cyclohexyl-3-(pyridin-4-ylmethylideneamino)urea?
The canonical SMILES for 1-cyclohexyl-3-(pyridin-4-ylmethylideneamino)urea is O=C(NN=Cc1ccncc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(pyridin-4-ylmethylideneamino)urea?
The InChIKey is BCJNWMPGTQFEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c18-13(16-12-4-2-1-3-5-12)17-15-10-11-6-8-14-9-7-11/h6-10,12H,1-5H2,(H2,16,17,18).
What are the key properties of 1-cyclohexyl-3-(pyridin-4-ylmethylideneamino)urea?
1-cyclohexyl-3-(pyridin-4-ylmethylideneamino)urea has a molecular weight of 246.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(pyridin-4-ylmethylideneamino)urea is sourced from PubChem (CID 2407544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).