3,4,5,6-tetrachloro-N-[3-(propanoylamino)phenyl]pyridine-2-carboxamide

C15H11Cl4N3O2 — CID 46568178

IUPAC3,4,5,6-tetrachloro-N-[3-(propanoylamino)phenyl]pyridine-2-carboxamide
SMILESCCC(=O)Nc1cccc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1
InChIInChI=1S/C15H11Cl4N3O2/c1-2-9(23)20-7-4-3-5-8(6-7)21-15(24)13-11(17)10(16)12(18)14(19)22-13/h3-6H,2H2,1H3,(H,20,23)(H,21,24)
InChIKeyGWVFMLLVGHOZQZ-UHFFFAOYSA-N
MW407.08 g/mol
LogP5.30
Rot. Bonds4

About 3,4,5,6-tetrachloro-N-[3-(propanoylamino)phenyl]pyridine-2-carboxamide

3,4,5,6-tetrachloro-N-[3-(propanoylamino)phenyl]pyridine-2-carboxamide (PubChem CID 46568178) has the molecular formula C15H11Cl4N3O2 and a molecular weight of 407.08 g/mol. Its IUPAC name is 3,4,5,6-tetrachloro-N-[3-(propanoylamino)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,4,5,6-tetrachloro-N-[3-(propanoylamino)phenyl]pyridine-2-carboxamide
PubChem CID46568178
Molecular FormulaC15H11Cl4N3O2
Molecular Weight407.08 g/mol
Exact Mass404.96
IUPAC Name3,4,5,6-tetrachloro-N-[3-(propanoylamino)phenyl]pyridine-2-carboxamide
SMILESCCC(=O)Nc1cccc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1
InChIInChI=1S/C15H11Cl4N3O2/c1-2-9(23)20-7-4-3-5-8(6-7)21-15(24)13-11(17)10(16)12(18)14(19)22-13/h3-6H,2H2,1H3,(H,20,23)(H,21,24)
InChIKeyGWVFMLLVGHOZQZ-UHFFFAOYSA-N
XLogP5.30
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.08
LogP ≤ 55.30
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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Related Compounds

3,4,5,6-tetrachloro-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 26727984
2-chloro-N-[3-(propanoylamino)phenyl]furan-3-carboxamide
CID 106686546
3-chloro-N-[3-(propanoylamino)phenyl]propanamide
CID 61251232
N,N'-bis[3-(propanoylamino)phenyl]nonanediamide
CID 17188809
3,4,5,6-tetrachloro-N-[4-(cyanomethyl)phenyl]pyridine-2-carboxamide
CID 60599154
N-(3-acetylphenyl)propanamide
CID 903063
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(propanoylamino)phenyl]benzamide
CID 48985971
N-(4-acetamidophenyl)-3-(propanoylamino)benzamide
CID 17309669
N-[3-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]propanamide
CID 79287328
2-bromo-3-methyl-N-[3-(propanoylamino)phenyl]butanamide
CID 61251306
2-chloro-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide
CID 1227605
5-bromo-N-[3-(propanoylamino)phenyl]thiophene-2-carboxamide
CID 46568246

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrachloro-N-[3-(propanoylamino)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3,4,5,6-tetrachloro-N-[3-(propanoylamino)phenyl]pyridine-2-carboxamide (CID 46568178) is 3,4,5,6-tetrachloro-N-[3-(propanoylamino)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,4,5,6-tetrachloro-N-[3-(propanoylamino)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3,4,5,6-tetrachloro-N-[3-(propanoylamino)phenyl]pyridine-2-carboxamide is CCC(=O)Nc1cccc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1.
What is the InChIKey of 3,4,5,6-tetrachloro-N-[3-(propanoylamino)phenyl]pyridine-2-carboxamide?
The InChIKey is GWVFMLLVGHOZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl4N3O2/c1-2-9(23)20-7-4-3-5-8(6-7)21-15(24)13-11(17)10(16)12(18)14(19)22-13/h3-6H,2H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 3,4,5,6-tetrachloro-N-[3-(propanoylamino)phenyl]pyridine-2-carboxamide?
3,4,5,6-tetrachloro-N-[3-(propanoylamino)phenyl]pyridine-2-carboxamide has a molecular weight of 407.08 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrachloro-N-[3-(propanoylamino)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 46568178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).