1-[6-(2-chlorophenyl)pyridine-2-carbonyl]piperidine-4-carboxamide

C18H18ClN3O2 — CID 58211023

IUPAC1-[6-(2-chlorophenyl)pyridine-2-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cccc(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C18H18ClN3O2/c19-14-5-2-1-4-13(14)15-6-3-7-16(21-15)18(24)22-10-8-12(9-11-22)17(20)23/h1-7,12H,8-11H2,(H2,20,23)
InChIKeyLYPXURYIDXYNNZ-UHFFFAOYSA-N
MW343.81 g/mol
LogP2.74
Rot. Bonds3

About 1-[6-(2-chlorophenyl)pyridine-2-carbonyl]piperidine-4-carboxamide

1-[6-(2-chlorophenyl)pyridine-2-carbonyl]piperidine-4-carboxamide (PubChem CID 58211023) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 1-[6-(2-chlorophenyl)pyridine-2-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(2-chlorophenyl)pyridine-2-carbonyl]piperidine-4-carboxamide
PubChem CID58211023
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name1-[6-(2-chlorophenyl)pyridine-2-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cccc(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C18H18ClN3O2/c19-14-5-2-1-4-13(14)15-6-3-7-16(21-15)18(24)22-10-8-12(9-11-22)17(20)23/h1-7,12H,8-11H2,(H2,20,23)
InChIKeyLYPXURYIDXYNNZ-UHFFFAOYSA-N
XLogP2.74
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-chlorophenyl)pyridine-2-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-(2-chlorophenyl)pyridine-2-carbonyl]piperidine-4-carboxamide (CID 58211023) is 1-[6-(2-chlorophenyl)pyridine-2-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(2-chlorophenyl)pyridine-2-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(2-chlorophenyl)pyridine-2-carbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2cccc(-c3ccccc3Cl)n2)CC1.
What is the InChIKey of 1-[6-(2-chlorophenyl)pyridine-2-carbonyl]piperidine-4-carboxamide?
The InChIKey is LYPXURYIDXYNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c19-14-5-2-1-4-13(14)15-6-3-7-16(21-15)18(24)22-10-8-12(9-11-22)17(20)23/h1-7,12H,8-11H2,(H2,20,23).
What are the key properties of 1-[6-(2-chlorophenyl)pyridine-2-carbonyl]piperidine-4-carboxamide?
1-[6-(2-chlorophenyl)pyridine-2-carbonyl]piperidine-4-carboxamide has a molecular weight of 343.81 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-chlorophenyl)pyridine-2-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 58211023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).