1-(3-chloropropyl)-3-[4-(2-oxo-1-pyridinyl)phenyl]urea

C15H16ClN3O2 — CID 58787231

IUPAC1-(3-chloropropyl)-3-[4-(2-oxo-1-pyridinyl)phenyl]urea
SMILESO=C(NCCCCl)Nc1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C15H16ClN3O2/c16-9-3-10-17-15(21)18-12-5-7-13(8-6-12)19-11-2-1-4-14(19)20/h1-2,4-8,11H,3,9-10H2,(H2,17,18,21)
InChIKeyYRICTGBZLSRYEQ-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.59
Rot. Bonds5

About 1-(3-chloropropyl)-3-[4-(2-oxo-1-pyridinyl)phenyl]urea

1-(3-chloropropyl)-3-[4-(2-oxo-1-pyridinyl)phenyl]urea (PubChem CID 58787231) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is 1-(3-chloropropyl)-3-[4-(2-oxo-1-pyridinyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-chloropropyl)-3-[4-(2-oxo-1-pyridinyl)phenyl]urea
PubChem CID58787231
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name1-(3-chloropropyl)-3-[4-(2-oxo-1-pyridinyl)phenyl]urea
SMILESO=C(NCCCCl)Nc1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C15H16ClN3O2/c16-9-3-10-17-15(21)18-12-5-7-13(8-6-12)19-11-2-1-4-14(19)20/h1-2,4-8,11H,3,9-10H2,(H2,17,18,21)
InChIKeyYRICTGBZLSRYEQ-UHFFFAOYSA-N
XLogP2.59
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chloropropylcarbamoylamino)benzoic acid
CID 127562069
1-(6-chlorohexyl)-3-[4-(2-phenylethenyl)phenyl]urea
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CID 70346946
6-[(4-pyrrol-1-ylphenyl)carbamoylamino]hexanoic acid
CID 108886670
1-[4-(oxidoamino)phenyl]pyridin-2-one
CID 142825420
2-(3-chloropropylcarbamoylamino)-N-(4-methylphenyl)benzamide
CID 13381482
1-(3-propan-2-yloxypropyl)-3-(4-pyrrol-1-ylphenyl)urea
CID 108886776
4-N-(4-chlorophenyl)-5-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-dioxolane-4,5-dicarboxamide
CID 11561249
1-(4-chlorophenyl)-3-(2-pyrrol-1-ylethyl)urea
CID 110747680
1-[3-(2-ethylimidazol-1-yl)propyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
CID 118773217
1-(4-aminophenyl)-3-(2-chloroethyl)urea
CID 108896976
1-(3,5-dichlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948649

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropyl)-3-[4-(2-oxo-1-pyridinyl)phenyl]urea?
The IUPAC name of 1-(3-chloropropyl)-3-[4-(2-oxo-1-pyridinyl)phenyl]urea (CID 58787231) is 1-(3-chloropropyl)-3-[4-(2-oxo-1-pyridinyl)phenyl]urea.
What is the SMILES notation for 1-(3-chloropropyl)-3-[4-(2-oxo-1-pyridinyl)phenyl]urea?
The canonical SMILES for 1-(3-chloropropyl)-3-[4-(2-oxo-1-pyridinyl)phenyl]urea is O=C(NCCCCl)Nc1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of 1-(3-chloropropyl)-3-[4-(2-oxo-1-pyridinyl)phenyl]urea?
The InChIKey is YRICTGBZLSRYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-9-3-10-17-15(21)18-12-5-7-13(8-6-12)19-11-2-1-4-14(19)20/h1-2,4-8,11H,3,9-10H2,(H2,17,18,21).
What are the key properties of 1-(3-chloropropyl)-3-[4-(2-oxo-1-pyridinyl)phenyl]urea?
1-(3-chloropropyl)-3-[4-(2-oxo-1-pyridinyl)phenyl]urea has a molecular weight of 305.76 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)-3-[4-(2-oxo-1-pyridinyl)phenyl]urea is sourced from PubChem (CID 58787231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).