N-(2,2,2-trichloro-1-piperidin-1-ylethyl)pyridine-3-carboxamide

C13H16Cl3N3O — CID 5001889

IUPACN-(2,2,2-trichloro-1-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NC(N1CCCCC1)C(Cl)(Cl)Cl)c1cccnc1
InChIInChI=1S/C13H16Cl3N3O/c14-13(15,16)12(19-7-2-1-3-8-19)18-11(20)10-5-4-6-17-9-10/h4-6,9,12H,1-3,7-8H2,(H,18,20)
InChIKeyHSCHLVWNPUJCCT-UHFFFAOYSA-N
MW336.65 g/mol
LogP2.99
Rot. Bonds3

About N-(2,2,2-trichloro-1-piperidin-1-ylethyl)pyridine-3-carboxamide

N-(2,2,2-trichloro-1-piperidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 5001889) has the molecular formula C13H16Cl3N3O and a molecular weight of 336.65 g/mol. Its IUPAC name is N-(2,2,2-trichloro-1-piperidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trichloro-1-piperidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID5001889
Molecular FormulaC13H16Cl3N3O
Molecular Weight336.65 g/mol
Exact Mass335.04
IUPAC NameN-(2,2,2-trichloro-1-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NC(N1CCCCC1)C(Cl)(Cl)Cl)c1cccnc1
InChIInChI=1S/C13H16Cl3N3O/c14-13(15,16)12(19-7-2-1-3-8-19)18-11(20)10-5-4-6-17-9-10/h4-6,9,12H,1-3,7-8H2,(H,18,20)
InChIKeyHSCHLVWNPUJCCT-UHFFFAOYSA-N
XLogP2.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.65
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trichloro-1-piperidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2,2,2-trichloro-1-piperidin-1-ylethyl)pyridine-3-carboxamide (CID 5001889) is N-(2,2,2-trichloro-1-piperidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,2,2-trichloro-1-piperidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,2,2-trichloro-1-piperidin-1-ylethyl)pyridine-3-carboxamide is O=C(NC(N1CCCCC1)C(Cl)(Cl)Cl)c1cccnc1.
What is the InChIKey of N-(2,2,2-trichloro-1-piperidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is HSCHLVWNPUJCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl3N3O/c14-13(15,16)12(19-7-2-1-3-8-19)18-11(20)10-5-4-6-17-9-10/h4-6,9,12H,1-3,7-8H2,(H,18,20).
What are the key properties of N-(2,2,2-trichloro-1-piperidin-1-ylethyl)pyridine-3-carboxamide?
N-(2,2,2-trichloro-1-piperidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 336.65 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trichloro-1-piperidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 5001889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).