3,4,5,6-tetrachloro-N-[2-(piperidine-1-carbonyl)phenyl]pyridine-2-carboxamide

C18H15Cl4N3O2 — CID 16547444

IUPAC3,4,5,6-tetrachloro-N-[2-(piperidine-1-carbonyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCCC1)c1nc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C18H15Cl4N3O2/c19-12-13(20)15(24-16(22)14(12)21)17(26)23-11-7-3-2-6-10(11)18(27)25-8-4-1-5-9-25/h2-3,6-7H,1,4-5,8-9H2,(H,23,26)
InChIKeyVCXKNJYBCIBSCP-UHFFFAOYSA-N
MW447.15 g/mol
LogP5.57
Rot. Bonds3

About 3,4,5,6-tetrachloro-N-[2-(piperidine-1-carbonyl)phenyl]pyridine-2-carboxamide

3,4,5,6-tetrachloro-N-[2-(piperidine-1-carbonyl)phenyl]pyridine-2-carboxamide (PubChem CID 16547444) has the molecular formula C18H15Cl4N3O2 and a molecular weight of 447.15 g/mol. Its IUPAC name is 3,4,5,6-tetrachloro-N-[2-(piperidine-1-carbonyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,4,5,6-tetrachloro-N-[2-(piperidine-1-carbonyl)phenyl]pyridine-2-carboxamide
PubChem CID16547444
Molecular FormulaC18H15Cl4N3O2
Molecular Weight447.15 g/mol
Exact Mass444.99
IUPAC Name3,4,5,6-tetrachloro-N-[2-(piperidine-1-carbonyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCCC1)c1nc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C18H15Cl4N3O2/c19-12-13(20)15(24-16(22)14(12)21)17(26)23-11-7-3-2-6-10(11)18(27)25-8-4-1-5-9-25/h2-3,6-7H,1,4-5,8-9H2,(H,23,26)
InChIKeyVCXKNJYBCIBSCP-UHFFFAOYSA-N
XLogP5.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.15
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
CID 2985638
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
N-[2-(piperidine-1-carbonyl)phenyl]quinoxaline-2-carboxamide
CID 17420584
4-piperidin-1-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 21367427
2-(aminomethyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119684716
N-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide
CID 99140359
methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate
CID 551078
3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide
CID 35277906
2-amino-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119268834
N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide
CID 17080136
5-bromo-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxamide
CID 37079607
3-(2-chlorophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 17179010

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrachloro-N-[2-(piperidine-1-carbonyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3,4,5,6-tetrachloro-N-[2-(piperidine-1-carbonyl)phenyl]pyridine-2-carboxamide (CID 16547444) is 3,4,5,6-tetrachloro-N-[2-(piperidine-1-carbonyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,4,5,6-tetrachloro-N-[2-(piperidine-1-carbonyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3,4,5,6-tetrachloro-N-[2-(piperidine-1-carbonyl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccccc1C(=O)N1CCCCC1)c1nc(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 3,4,5,6-tetrachloro-N-[2-(piperidine-1-carbonyl)phenyl]pyridine-2-carboxamide?
The InChIKey is VCXKNJYBCIBSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl4N3O2/c19-12-13(20)15(24-16(22)14(12)21)17(26)23-11-7-3-2-6-10(11)18(27)25-8-4-1-5-9-25/h2-3,6-7H,1,4-5,8-9H2,(H,23,26).
What are the key properties of 3,4,5,6-tetrachloro-N-[2-(piperidine-1-carbonyl)phenyl]pyridine-2-carboxamide?
3,4,5,6-tetrachloro-N-[2-(piperidine-1-carbonyl)phenyl]pyridine-2-carboxamide has a molecular weight of 447.15 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrachloro-N-[2-(piperidine-1-carbonyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 16547444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).