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

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Related Compounds

1-[(E)-2-cyclohexylethenyl]-3-(4-methylphenyl)urea
CID 108911993
1-cyclopropyl-3-(4-methyl-2-pyridinyl)urea
CID 108887621
1-(5-chloro-2-pyridinyl)-3-[(E)-2-cyclopentylethenyl]urea
CID 108911970
1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(4-methyl-2-pyridinyl)urea
CID 108904487
1-[(E)-2-cyclohexylethenyl]-3-[(3-methylphenyl)methyl]urea
CID 108912320
1-[(E)-2-cyclohexylethenyl]-3-(3,5-dichlorophenyl)urea
CID 108912245
2-hydroxy-N-(4-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 110014122
1-[(E)-2-cyclohexylethenyl]-3-(4-methoxyphenyl)urea
CID 108912023
N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 46429748
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-cyclohexylethenyl]urea
CID 108912284
N-(4-methyl-2-pyridinyl)azepane-1-carboxamide
CID 127514123
2-(cyclopropylamino)-N-(4-methyl-2-pyridinyl)acetamide
CID 60842851

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).