N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]pyridine-2-carboxamide

C18H19N3O4 — CID 108557881

IUPACN-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]pyridine-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2cc(O)cc(O)c2)CC1)c1ccccn1
InChIInChI=1S/C18H19N3O4/c22-14-9-12(10-15(23)11-14)18(25)21-7-4-13(5-8-21)20-17(24)16-3-1-2-6-19-16/h1-3,6,9-11,13,22-23H,4-5,7-8H2,(H,20,24)
InChIKeyAJFOKJHIUUOKKH-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.53
Rot. Bonds3

About N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]pyridine-2-carboxamide

N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 108557881) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]pyridine-2-carboxamide
PubChem CID108557881
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]pyridine-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2cc(O)cc(O)c2)CC1)c1ccccn1
InChIInChI=1S/C18H19N3O4/c22-14-9-12(10-15(23)11-14)18(25)21-7-4-13(5-8-21)20-17(24)16-3-1-2-6-19-16/h1-3,6,9-11,13,22-23H,4-5,7-8H2,(H,20,24)
InChIKeyAJFOKJHIUUOKKH-UHFFFAOYSA-N
XLogP1.53
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-chlorobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110821025
N-[1-(3-methylbenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110820295
N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110820497
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108551443
N-[1-(2-bromobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 108557809
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-fluorobenzamide
CID 108549393
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108555061
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558128
N-[1-(tert-butylcarbamoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110822407
N-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110821459
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557638

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]pyridine-2-carboxamide (CID 108557881) is N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]pyridine-2-carboxamide is O=C(NC1CCN(C(=O)c2cc(O)cc(O)c2)CC1)c1ccccn1.
What is the InChIKey of N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is AJFOKJHIUUOKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-14-9-12(10-15(23)11-14)18(25)21-7-4-13(5-8-21)20-17(24)16-3-1-2-6-19-16/h1-3,6,9-11,13,22-23H,4-5,7-8H2,(H,20,24).
What are the key properties of N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]pyridine-2-carboxamide?
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 108557881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).