N-(3-hydroxy-2-pyridinyl)-4-methyl-3-nitrobenzamide

C13H11N3O4 — CID 30159469

IUPACN-(3-hydroxy-2-pyridinyl)-4-methyl-3-nitrobenzamide
SMILESCc1ccc(C(=O)Nc2ncccc2O)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11N3O4/c1-8-4-5-9(7-10(8)16(19)20)13(18)15-12-11(17)3-2-6-14-12/h2-7,17H,1H3,(H,14,15,18)
InChIKeyFIRGRMMKMHGNFR-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.26
Rot. Bonds3

About N-(3-hydroxy-2-pyridinyl)-4-methyl-3-nitrobenzamide

N-(3-hydroxy-2-pyridinyl)-4-methyl-3-nitrobenzamide (PubChem CID 30159469) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is N-(3-hydroxy-2-pyridinyl)-4-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-pyridinyl)-4-methyl-3-nitrobenzamide
PubChem CID30159469
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC NameN-(3-hydroxy-2-pyridinyl)-4-methyl-3-nitrobenzamide
SMILESCc1ccc(C(=O)Nc2ncccc2O)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11N3O4/c1-8-4-5-9(7-10(8)16(19)20)13(18)15-12-11(17)3-2-6-14-12/h2-7,17H,1H3,(H,14,15,18)
InChIKeyFIRGRMMKMHGNFR-UHFFFAOYSA-N
XLogP2.26
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.26
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

N-(2-bromo-3-pyridinyl)-4-methyl-3-nitrobenzamide
CID 103819140
N-(3-hydroxy-2-pyridinyl)-4-methylbenzamide
CID 25342946
N-(3-hydroxy-2-pyridinyl)-4-(3-methylpiperidin-1-yl)-3-nitrobenzamide
CID 46652921
N-(3,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
CID 779436
4-amino-N-(3-chloro-2-pyridinyl)-3-nitrobenzamide
CID 103094802
4-amino-3-chloro-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide
CID 62152357
ethane;methyl 3-[(3-hydroxy-2-pyridinyl)carbamoyl]-5-nitrobenzoate
CID 143408545
4-(4-methylpiperazin-4-ium-1-yl)-N-(3-methyl-2-pyridinyl)-3-nitrobenzamide
CID 7388415
N-(2,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
CID 711333
N-(2-hydroxy-5-propan-2-ylphenyl)-4-methyl-3-nitrobenzamide
CID 166495094
4-methyl-3-nitro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1324396
N-(4-chlorophenyl)-4-methyl-3-nitrobenzamide
CID 711327

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-pyridinyl)-4-methyl-3-nitrobenzamide?
The IUPAC name of N-(3-hydroxy-2-pyridinyl)-4-methyl-3-nitrobenzamide (CID 30159469) is N-(3-hydroxy-2-pyridinyl)-4-methyl-3-nitrobenzamide.
What is the SMILES notation for N-(3-hydroxy-2-pyridinyl)-4-methyl-3-nitrobenzamide?
The canonical SMILES for N-(3-hydroxy-2-pyridinyl)-4-methyl-3-nitrobenzamide is Cc1ccc(C(=O)Nc2ncccc2O)cc1[N+](=O)[O-].
What is the InChIKey of N-(3-hydroxy-2-pyridinyl)-4-methyl-3-nitrobenzamide?
The InChIKey is FIRGRMMKMHGNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c1-8-4-5-9(7-10(8)16(19)20)13(18)15-12-11(17)3-2-6-14-12/h2-7,17H,1H3,(H,14,15,18).
What are the key properties of N-(3-hydroxy-2-pyridinyl)-4-methyl-3-nitrobenzamide?
N-(3-hydroxy-2-pyridinyl)-4-methyl-3-nitrobenzamide has a molecular weight of 273.25 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-pyridinyl)-4-methyl-3-nitrobenzamide is sourced from PubChem (CID 30159469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).