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

C15H12Cl2N4O2 — CID 86846798

IUPAC2,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(Cl)nc1Cl
InChIInChI=1S/C15H12Cl2N4O2/c16-12-6-5-11(13(17)20-12)14(22)19-9-1-3-10(4-2-9)21-8-7-18-15(21)23/h1-6H,7-8H2,(H,18,23)(H,19,22)
InChIKeyWUNBLQDBUJNGKD-UHFFFAOYSA-N
MW351.19 g/mol
LogP3.17
Rot. Bonds3

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

2,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide (PubChem CID 86846798) has the molecular formula C15H12Cl2N4O2 and a molecular weight of 351.19 g/mol. Its IUPAC name is 2,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide
PubChem CID86846798
Molecular FormulaC15H12Cl2N4O2
Molecular Weight351.19 g/mol
Exact Mass350.03
IUPAC Name2,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(Cl)nc1Cl
InChIInChI=1S/C15H12Cl2N4O2/c16-12-6-5-11(13(17)20-12)14(22)19-9-1-3-10(4-2-9)21-8-7-18-15(21)23/h1-6H,7-8H2,(H,18,23)(H,19,22)
InChIKeyWUNBLQDBUJNGKD-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 2,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide (CID 86846798) is 2,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is WUNBLQDBUJNGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O2/c16-12-6-5-11(13(17)20-12)14(22)19-9-1-3-10(4-2-9)21-8-7-18-15(21)23/h1-6H,7-8H2,(H,18,23)(H,19,22).
What are the key properties of 2,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide?
2,6-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 2,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 86846798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).