N-benzyl-5,6-dichloropyridine-3-carboxamide

C13H10Cl2N2O — CID 2115887

IUPACN-benzyl-5,6-dichloropyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2N2O/c14-11-6-10(8-16-12(11)15)13(18)17-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,17,18)
InChIKeyXJPYUVIPHQRYGQ-UHFFFAOYSA-N
MW281.14 g/mol
LogP3.32
Rot. Bonds3

About N-benzyl-5,6-dichloropyridine-3-carboxamide

N-benzyl-5,6-dichloropyridine-3-carboxamide (PubChem CID 2115887) has the molecular formula C13H10Cl2N2O and a molecular weight of 281.14 g/mol. Its IUPAC name is N-benzyl-5,6-dichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5,6-dichloropyridine-3-carboxamide
PubChem CID2115887
Molecular FormulaC13H10Cl2N2O
Molecular Weight281.14 g/mol
Exact Mass280.02
IUPAC NameN-benzyl-5,6-dichloropyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2N2O/c14-11-6-10(8-16-12(11)15)13(18)17-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,17,18)
InChIKeyXJPYUVIPHQRYGQ-UHFFFAOYSA-N
XLogP3.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-benzyl-5,6-dichloropyridine-3-carboxamide?
The IUPAC name of N-benzyl-5,6-dichloropyridine-3-carboxamide (CID 2115887) is N-benzyl-5,6-dichloropyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5,6-dichloropyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5,6-dichloropyridine-3-carboxamide is O=C(NCc1ccccc1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of N-benzyl-5,6-dichloropyridine-3-carboxamide?
The InChIKey is XJPYUVIPHQRYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O/c14-11-6-10(8-16-12(11)15)13(18)17-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,17,18).
What are the key properties of N-benzyl-5,6-dichloropyridine-3-carboxamide?
N-benzyl-5,6-dichloropyridine-3-carboxamide has a molecular weight of 281.14 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5,6-dichloropyridine-3-carboxamide is sourced from PubChem (CID 2115887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).