5,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide

C15H12Cl2N4O2 — CID 52545770

IUPAC5,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCNC2=O)cc1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2N4O2/c16-12-7-9(8-19-13(12)17)14(22)20-10-1-3-11(4-2-10)21-6-5-18-15(21)23/h1-4,7-8H,5-6H2,(H,18,23)(H,20,22)
InChIKeyIQIYVFDCSBPWDK-UHFFFAOYSA-N
MW351.19 g/mol
LogP3.17
Rot. Bonds3

About 5,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide

5,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide (PubChem CID 52545770) has the molecular formula C15H12Cl2N4O2 and a molecular weight of 351.19 g/mol. Its IUPAC name is 5,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide
PubChem CID52545770
Molecular FormulaC15H12Cl2N4O2
Molecular Weight351.19 g/mol
Exact Mass350.03
IUPAC Name5,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCNC2=O)cc1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2N4O2/c16-12-7-9(8-19-13(12)17)14(22)20-10-1-3-11(4-2-10)21-6-5-18-15(21)23/h1-4,7-8H,5-6H2,(H,18,23)(H,20,22)
InChIKeyIQIYVFDCSBPWDK-UHFFFAOYSA-N
XLogP3.17
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide (CID 52545770) is 5,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(N2CCNC2=O)cc1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is IQIYVFDCSBPWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O2/c16-12-7-9(8-19-13(12)17)14(22)20-10-1-3-11(4-2-10)21-6-5-18-15(21)23/h1-4,7-8H,5-6H2,(H,18,23)(H,20,22).
What are the key properties of 5,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide?
5,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 351.19 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 52545770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).