N-benzyl-2,4,5,6-tetrachloropyridine-3-carboxamide

C13H8Cl4N2O — CID 628678

IUPACN-benzyl-2,4,5,6-tetrachloropyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1c(Cl)nc(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H8Cl4N2O/c14-9-8(11(16)19-12(17)10(9)15)13(20)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,18,20)
InChIKeyMAKAUYWKQYUZPW-UHFFFAOYSA-N
MW350.03 g/mol
LogP4.63
Rot. Bonds3

About N-benzyl-2,4,5,6-tetrachloropyridine-3-carboxamide

N-benzyl-2,4,5,6-tetrachloropyridine-3-carboxamide (PubChem CID 628678) has the molecular formula C13H8Cl4N2O and a molecular weight of 350.03 g/mol. Its IUPAC name is N-benzyl-2,4,5,6-tetrachloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2,4,5,6-tetrachloropyridine-3-carboxamide
PubChem CID628678
Molecular FormulaC13H8Cl4N2O
Molecular Weight350.03 g/mol
Exact Mass347.94
IUPAC NameN-benzyl-2,4,5,6-tetrachloropyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1c(Cl)nc(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H8Cl4N2O/c14-9-8(11(16)19-12(17)10(9)15)13(20)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,18,20)
InChIKeyMAKAUYWKQYUZPW-UHFFFAOYSA-N
XLogP4.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.03
LogP ≤ 54.63
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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Related Compounds

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CID 15979579
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CID 70015173
N-benzyl-4-chloro-2-methylsulfanyl-6-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 15979683
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2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255380
N-benzyl-2,4,5-triphenylfuran-3-carboxamide
CID 132516883
N-benzyl-6-(chloromethyl)pyridine-2-carboxamide
CID 67806614
N-benzyl-4-bromo-1,3-thiazole-2-carboxamide
CID 90935843
N-benzyl-3-chloro-1-benzothiophene-2-carboxamide
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N-benzyl-2H-triazole-4-carboxamide
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2,3,6-trichloro-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 108738492

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,4,5,6-tetrachloropyridine-3-carboxamide?
The IUPAC name of N-benzyl-2,4,5,6-tetrachloropyridine-3-carboxamide (CID 628678) is N-benzyl-2,4,5,6-tetrachloropyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-2,4,5,6-tetrachloropyridine-3-carboxamide?
The canonical SMILES for N-benzyl-2,4,5,6-tetrachloropyridine-3-carboxamide is O=C(NCc1ccccc1)c1c(Cl)nc(Cl)c(Cl)c1Cl.
What is the InChIKey of N-benzyl-2,4,5,6-tetrachloropyridine-3-carboxamide?
The InChIKey is MAKAUYWKQYUZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl4N2O/c14-9-8(11(16)19-12(17)10(9)15)13(20)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,18,20).
What are the key properties of N-benzyl-2,4,5,6-tetrachloropyridine-3-carboxamide?
N-benzyl-2,4,5,6-tetrachloropyridine-3-carboxamide has a molecular weight of 350.03 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,4,5,6-tetrachloropyridine-3-carboxamide is sourced from PubChem (CID 628678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).