N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyridine-4-carboxamide

C14H13N3O4 — CID 43004373

IUPACN-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCC(O)c1ccc([N+](=O)[O-])cc1)c1ccncc1
InChIInChI=1S/C14H13N3O4/c18-13(10-1-3-12(4-2-10)17(20)21)9-16-14(19)11-5-7-15-8-6-11/h1-8,13,18H,9H2,(H,16,19)
InChIKeyXPLRVYDUZVGGDQ-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.45
Rot. Bonds5

About N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyridine-4-carboxamide

N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyridine-4-carboxamide (PubChem CID 43004373) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyridine-4-carboxamide
PubChem CID43004373
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC NameN-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCC(O)c1ccc([N+](=O)[O-])cc1)c1ccncc1
InChIInChI=1S/C14H13N3O4/c18-13(10-1-3-12(4-2-10)17(20)21)9-16-14(19)11-5-7-15-8-6-11/h1-8,13,18H,9H2,(H,16,19)
InChIKeyXPLRVYDUZVGGDQ-UHFFFAOYSA-N
XLogP1.45
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide
CID 40952744
3,5-difluoro-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide
CID 41176072
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3,4-dimethylbenzamide
CID 40952776
3-amino-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyrazine-2-carboxamide
CID 43039205
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 47178909
N-[3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-oxopropyl]benzamide
CID 42908904
4-nitro-N-(pyridin-4-ylmethyl)benzamide
CID 2164802
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 8961150
N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103686115
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]cyclopropanecarboxamide
CID 94052165
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-nitrobenzamide
CID 110888918
N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-nitrobenzamide
CID 90497285

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyridine-4-carboxamide (CID 43004373) is N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyridine-4-carboxamide is O=C(NCC(O)c1ccc([N+](=O)[O-])cc1)c1ccncc1.
What is the InChIKey of N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is XPLRVYDUZVGGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-13(10-1-3-12(4-2-10)17(20)21)9-16-14(19)11-5-7-15-8-6-11/h1-8,13,18H,9H2,(H,16,19).
What are the key properties of N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyridine-4-carboxamide?
N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 43004373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).