1-(5-chloro-2-pyridinyl)-3-[(E)-2-cyclopentylethenyl]urea

C13H16ClN3O — CID 108911970

IUPAC1-(5-chloro-2-pyridinyl)-3-[(E)-2-cyclopentylethenyl]urea
SMILESO=C(N/C=C/C1CCCC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H16ClN3O/c14-11-5-6-12(16-9-11)17-13(18)15-8-7-10-3-1-2-4-10/h5-10H,1-4H2,(H2,15,16,17,18)/b8-7+
InChIKeyVYJMRTIJPZFULX-BQYQJAHWSA-N
MW265.74 g/mol
LogP3.56
Rot. Bonds3

About 1-(5-chloro-2-pyridinyl)-3-[(E)-2-cyclopentylethenyl]urea

1-(5-chloro-2-pyridinyl)-3-[(E)-2-cyclopentylethenyl]urea (PubChem CID 108911970) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-3-[(E)-2-cyclopentylethenyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-3-[(E)-2-cyclopentylethenyl]urea
PubChem CID108911970
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name1-(5-chloro-2-pyridinyl)-3-[(E)-2-cyclopentylethenyl]urea
SMILESO=C(N/C=C/C1CCCC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H16ClN3O/c14-11-5-6-12(16-9-11)17-13(18)15-8-7-10-3-1-2-4-10/h5-10H,1-4H2,(H2,15,16,17,18)/b8-7+
InChIKeyVYJMRTIJPZFULX-BQYQJAHWSA-N
XLogP3.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-Chlorophenyl)-N'-(2-pyridinyl)urea
CID 769416
N-((4-chlorophenyl)methyl)pyridin-2-amine
CID 89881
HI-445
CID 3001929
N-Cyclohexyl-N'-2-pyridinylurea
CID 99760
2-Acetamido-5-chloropyridine
CID 798653
N-(5-chloropyridin-2-yl)-2-methylpentanamide
CID 2889757
1-(3-Chlorophenyl)-3-(3-methylpyridin-2-yl)urea
CID 836690
1-(5-Chloropyridin-2-yl)-3-[2-(2,6-difluorophenyl)ethyl]urea
CID 469199
1-(5-chloro-2-pyridyl)-3-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropyl]urea
CID 469281
N-(5-chloropyridin-2-yl)cyclopropanecarboxamide
CID 686089
Urea, 1-(2-chloroethyl)-3-(2-pyridyl)-
CID 98714
1-(4-Chloro-phenyl)-3-(4-methyl-pyridin-2-YL)-urea
CID 790715

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-3-[(E)-2-cyclopentylethenyl]urea?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-3-[(E)-2-cyclopentylethenyl]urea (CID 108911970) is 1-(5-chloro-2-pyridinyl)-3-[(E)-2-cyclopentylethenyl]urea.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-3-[(E)-2-cyclopentylethenyl]urea?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-3-[(E)-2-cyclopentylethenyl]urea is O=C(N/C=C/C1CCCC1)Nc1ccc(Cl)cn1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-3-[(E)-2-cyclopentylethenyl]urea?
The InChIKey is VYJMRTIJPZFULX-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H16ClN3O/c14-11-5-6-12(16-9-11)17-13(18)15-8-7-10-3-1-2-4-10/h5-10H,1-4H2,(H2,15,16,17,18)/b8-7+.
What are the key properties of 1-(5-chloro-2-pyridinyl)-3-[(E)-2-cyclopentylethenyl]urea?
1-(5-chloro-2-pyridinyl)-3-[(E)-2-cyclopentylethenyl]urea has a molecular weight of 265.74 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-3-[(E)-2-cyclopentylethenyl]urea is sourced from PubChem (CID 108911970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).