1-[(E)-2-cyclohexylethenyl]-3-(4-methyl-2-pyridinyl)urea

C15H21N3O — CID 108912290

IUPAC1-[(E)-2-cyclohexylethenyl]-3-(4-methyl-2-pyridinyl)urea
SMILESCc1ccnc(NC(=O)N/C=C/C2CCCCC2)c1
InChIInChI=1S/C15H21N3O/c1-12-7-9-16-14(11-12)18-15(19)17-10-8-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H2,16,17,18,19)/b10-8+
InChIKeyYSLZPTOCIDSLRW-CSKARUKUSA-N
MW259.35 g/mol
LogP3.61
Rot. Bonds3

About 1-[(E)-2-cyclohexylethenyl]-3-(4-methyl-2-pyridinyl)urea

1-[(E)-2-cyclohexylethenyl]-3-(4-methyl-2-pyridinyl)urea (PubChem CID 108912290) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[(E)-2-cyclohexylethenyl]-3-(4-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[(E)-2-cyclohexylethenyl]-3-(4-methyl-2-pyridinyl)urea
PubChem CID108912290
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[(E)-2-cyclohexylethenyl]-3-(4-methyl-2-pyridinyl)urea
SMILESCc1ccnc(NC(=O)N/C=C/C2CCCCC2)c1
InChIInChI=1S/C15H21N3O/c1-12-7-9-16-14(11-12)18-15(19)17-10-8-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H2,16,17,18,19)/b10-8+
InChIKeyYSLZPTOCIDSLRW-CSKARUKUSA-N
XLogP3.61
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(E)-2-cyclohexylethenyl]-3-(4-methyl-2-pyridinyl)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

Tripelennamine
CID 5587
Tripelennamine Hydrochloride
CID 9066
2-Amino-4-methylpyridine
CID 1533
2-Amino-5-methylpyridine
CID 15348
2-(Benzylamino)pyridine
CID 23362
N-Phenyl-N'-2-pyridinylurea
CID 221427
WZ 811
CID 11565518
N-(pyridin-2-yl)benzamide
CID 219990
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
5-Phenyl-2-pyridinamine
CID 105097
2-Acetamidopyridine
CID 72929
1-(3-Methyl-pyridin-2-YL)-3-phenyl-urea
CID 790718

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclohexylethenyl]-3-(4-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[(E)-2-cyclohexylethenyl]-3-(4-methyl-2-pyridinyl)urea (CID 108912290) is 1-[(E)-2-cyclohexylethenyl]-3-(4-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[(E)-2-cyclohexylethenyl]-3-(4-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[(E)-2-cyclohexylethenyl]-3-(4-methyl-2-pyridinyl)urea is Cc1ccnc(NC(=O)N/C=C/C2CCCCC2)c1.
What is the InChIKey of 1-[(E)-2-cyclohexylethenyl]-3-(4-methyl-2-pyridinyl)urea?
The InChIKey is YSLZPTOCIDSLRW-CSKARUKUSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12-7-9-16-14(11-12)18-15(19)17-10-8-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H2,16,17,18,19)/b10-8+.
What are the key properties of 1-[(E)-2-cyclohexylethenyl]-3-(4-methyl-2-pyridinyl)urea?
1-[(E)-2-cyclohexylethenyl]-3-(4-methyl-2-pyridinyl)urea has a molecular weight of 259.35 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclohexylethenyl]-3-(4-methyl-2-pyridinyl)urea is sourced from PubChem (CID 108912290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).