N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide

C18H21N3O2 — CID 71553275

IUPACN-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide
SMILESO=C(c1cc(N2CCCCC2)ccn1)N(O)Cc1ccccc1
InChIInChI=1S/C18H21N3O2/c22-18(21(23)14-15-7-3-1-4-8-15)17-13-16(9-10-19-17)20-11-5-2-6-12-20/h1,3-4,7-10,13,23H,2,5-6,11-12,14H2
InChIKeyGDZKFIBPRUTACN-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.10
Rot. Bonds4

About N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide

N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide (PubChem CID 71553275) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide
PubChem CID71553275
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide
SMILESO=C(c1cc(N2CCCCC2)ccn1)N(O)Cc1ccccc1
InChIInChI=1S/C18H21N3O2/c22-18(21(23)14-15-7-3-1-4-8-15)17-13-16(9-10-19-17)20-11-5-2-6-12-20/h1,3-4,7-10,13,23H,2,5-6,11-12,14H2
InChIKeyGDZKFIBPRUTACN-UHFFFAOYSA-N
XLogP3.10
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-hydroxy-4-morpholin-4-ylpyridine-2-carboxamide
CID 86681827
N-benzyl-N-ethyl-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203831
N-(3-phenylpropyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204611
phenyl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10491030
N-benzyl-N-ethyl-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208871
N-benzyl-N-ethyl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109212514
1-(4-piperidin-1-yl-2-pyridinyl)-5-(4-pyrrolidin-1-yl-2-pyridinyl)pentane-1,3,5-trione
CID 143079234
bis(N-benzyl-N-hydroxy-5-piperidin-1-ylpyridine-2-carboxamide);methyl 5-bromopyridine-2-carboxylate;methyl 5-piperidin-1-ylpyridine-2-carboxylate;5-piperidin-1-ylpyridine-2-carboxylic acid
CID 160783767
(4-piperidin-1-yl-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109203615
piperidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203804
4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109204576
4-(azepane-1-carbonyl)-N-benzyl-N-ethylpyridine-2-carboxamide
CID 109087072

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide (CID 71553275) is N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide is O=C(c1cc(N2CCCCC2)ccn1)N(O)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide?
The InChIKey is GDZKFIBPRUTACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-18(21(23)14-15-7-3-1-4-8-15)17-13-16(9-10-19-17)20-11-5-2-6-12-20/h1,3-4,7-10,13,23H,2,5-6,11-12,14H2.
What are the key properties of N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide?
N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 71553275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).