N-benzyl-N-hydroxy-2-pyridin-2-yl-1H-pyridine-2-carboxamide

C18H17N3O2 — CID 174723238

IUPACN-benzyl-N-hydroxy-2-pyridin-2-yl-1H-pyridine-2-carboxamide
SMILESO=C(N(O)Cc1ccccc1)C1(c2ccccn2)C=CC=CN1
InChIInChI=1S/C18H17N3O2/c22-17(21(23)14-15-8-2-1-3-9-15)18(11-5-7-13-20-18)16-10-4-6-12-19-16/h1-13,20,23H,14H2
InChIKeyLACDXKAHLGHOEJ-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.37
Rot. Bonds4

About N-benzyl-N-hydroxy-2-pyridin-2-yl-1H-pyridine-2-carboxamide

N-benzyl-N-hydroxy-2-pyridin-2-yl-1H-pyridine-2-carboxamide (PubChem CID 174723238) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-benzyl-N-hydroxy-2-pyridin-2-yl-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-hydroxy-2-pyridin-2-yl-1H-pyridine-2-carboxamide
PubChem CID174723238
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-benzyl-N-hydroxy-2-pyridin-2-yl-1H-pyridine-2-carboxamide
SMILESO=C(N(O)Cc1ccccc1)C1(c2ccccn2)C=CC=CN1
InChIInChI=1S/C18H17N3O2/c22-17(21(23)14-15-8-2-1-3-9-15)18(11-5-7-13-20-18)16-10-4-6-12-19-16/h1-13,20,23H,14H2
InChIKeyLACDXKAHLGHOEJ-UHFFFAOYSA-N
XLogP2.37
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
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

(2-pyridin-2-yl-1H-pyridin-2-yl) hydrogen carbonate
CID 175547748
(2S)-2-pyridin-2-yl-1H-pyridin-2-amine
CID 97049775
trimethyl-[(2-pyridin-2-yl-1H-pyridin-2-yl)methyl]silane
CID 11235743
2-phenylmethoxy-1H-pyridine-2-carboxylic acid
CID 19960310
1-N,4-N-dibenzyl-1-N,4-N-dihydroxybenzene-1,4-dicarboxamide
CID 20615921
2-pyridin-3-yl-1H-pyridine-2-carboxylic acid
CID 68861523
[2-(2-pyridin-2-yl-1H-pyridin-2-yl)-4-pyridinyl]boronic acid
CID 172770928
N-benzyl-N-hydroxy-2-phenylacetamide
CID 10933642
N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide
CID 71553275
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
3-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride
CID 163342206
cyclohexane;N,N-dibenzylhydroxylamine
CID 19709160

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-hydroxy-2-pyridin-2-yl-1H-pyridine-2-carboxamide?
The IUPAC name of N-benzyl-N-hydroxy-2-pyridin-2-yl-1H-pyridine-2-carboxamide (CID 174723238) is N-benzyl-N-hydroxy-2-pyridin-2-yl-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-hydroxy-2-pyridin-2-yl-1H-pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-N-hydroxy-2-pyridin-2-yl-1H-pyridine-2-carboxamide is O=C(N(O)Cc1ccccc1)C1(c2ccccn2)C=CC=CN1.
What is the InChIKey of N-benzyl-N-hydroxy-2-pyridin-2-yl-1H-pyridine-2-carboxamide?
The InChIKey is LACDXKAHLGHOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-17(21(23)14-15-8-2-1-3-9-15)18(11-5-7-13-20-18)16-10-4-6-12-19-16/h1-13,20,23H,14H2.
What are the key properties of N-benzyl-N-hydroxy-2-pyridin-2-yl-1H-pyridine-2-carboxamide?
N-benzyl-N-hydroxy-2-pyridin-2-yl-1H-pyridine-2-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-hydroxy-2-pyridin-2-yl-1H-pyridine-2-carboxamide is sourced from PubChem (CID 174723238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).