N-[1-(2-bromobenzoyl)piperidin-4-yl]pyridine-2-carboxamide

C18H18BrN3O2 — CID 108557809

IUPACN-[1-(2-bromobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccccc2Br)CC1)c1ccccn1
InChIInChI=1S/C18H18BrN3O2/c19-15-6-2-1-5-14(15)18(24)22-11-8-13(9-12-22)21-17(23)16-7-3-4-10-20-16/h1-7,10,13H,8-9,11-12H2,(H,21,23)
InChIKeyNKQISZAHHBMYMG-UHFFFAOYSA-N
MW388.27 g/mol
LogP2.88
Rot. Bonds3

About N-[1-(2-bromobenzoyl)piperidin-4-yl]pyridine-2-carboxamide

N-[1-(2-bromobenzoyl)piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 108557809) has the molecular formula C18H18BrN3O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is N-[1-(2-bromobenzoyl)piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bromobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
PubChem CID108557809
Molecular FormulaC18H18BrN3O2
Molecular Weight388.27 g/mol
Exact Mass387.06
IUPAC NameN-[1-(2-bromobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccccc2Br)CC1)c1ccccn1
InChIInChI=1S/C18H18BrN3O2/c19-15-6-2-1-5-14(15)18(24)22-11-8-13(9-12-22)21-17(23)16-7-3-4-10-20-16/h1-7,10,13H,8-9,11-12H2,(H,21,23)
InChIKeyNKQISZAHHBMYMG-UHFFFAOYSA-N
XLogP2.88
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-bromobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 60758403
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 108557881
2-fluoro-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821143
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
N-[1-(3-chlorobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110821025
N-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110821459
5-bromo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 108551769
N-[1-(3-methylbenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110820295
N-[1-(tert-butylcarbamoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110822407
N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548886
N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 69401322
N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110820497

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromobenzoyl)piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(2-bromobenzoyl)piperidin-4-yl]pyridine-2-carboxamide (CID 108557809) is N-[1-(2-bromobenzoyl)piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(2-bromobenzoyl)piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(2-bromobenzoyl)piperidin-4-yl]pyridine-2-carboxamide is O=C(NC1CCN(C(=O)c2ccccc2Br)CC1)c1ccccn1.
What is the InChIKey of N-[1-(2-bromobenzoyl)piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is NKQISZAHHBMYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O2/c19-15-6-2-1-5-14(15)18(24)22-11-8-13(9-12-22)21-17(23)16-7-3-4-10-20-16/h1-7,10,13H,8-9,11-12H2,(H,21,23).
What are the key properties of N-[1-(2-bromobenzoyl)piperidin-4-yl]pyridine-2-carboxamide?
N-[1-(2-bromobenzoyl)piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 388.27 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromobenzoyl)piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 108557809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).