5-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide

C14H13N3O4 — CID 63858698

IUPAC5-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide
SMILESCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cncc(O)c1
InChIInChI=1S/C14H13N3O4/c1-16(14(19)11-6-12(18)8-15-7-11)9-10-4-2-3-5-13(10)17(20)21/h2-8,18H,9H2,1H3
InChIKeyIQDXJYHJIOCLEC-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.97
Rot. Bonds4

About 5-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide

5-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide (PubChem CID 63858698) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 5-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide
PubChem CID63858698
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name5-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide
SMILESCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cncc(O)c1
InChIInChI=1S/C14H13N3O4/c1-16(14(19)11-6-12(18)8-15-7-11)9-10-4-2-3-5-13(10)17(20)21/h2-8,18H,9H2,1H3
InChIKeyIQDXJYHJIOCLEC-UHFFFAOYSA-N
XLogP1.97
TPSA96.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
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-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide
CID 46413108
3-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide
CID 115645822
5-acetyl-N-methyl-N-[(2-nitrophenyl)methyl]thiophene-2-carboxamide
CID 46399191
4-(acetamidomethyl)-N-methyl-N-[(2-nitrophenyl)methyl]benzamide
CID 46412770
4-butoxy-N-methyl-N-[(2-nitrophenyl)methyl]benzamide
CID 112819451
5-hydroxy-N-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 63865818
5-hydroxy-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 79004030
1-N-cyclopropyl-4-N-methyl-4-N-[(2-nitrophenyl)methyl]benzene-1,4-dicarboxamide
CID 178070531
N-[(3-bromophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63849991
N-[(2-bromophenyl)methyl]-N-methyl-3,5-dinitrobenzamide
CID 32812242
N-[(2-chlorophenyl)methyl]-N,4-dimethyl-3,5-dinitrobenzamide
CID 27773993
N-methyl-N-[(2-nitrophenyl)methyl]but-2-enamide
CID 112726699

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide (CID 63858698) is 5-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide is CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cncc(O)c1.
What is the InChIKey of 5-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is IQDXJYHJIOCLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-16(14(19)11-6-12(18)8-15-7-11)9-10-4-2-3-5-13(10)17(20)21/h2-8,18H,9H2,1H3.
What are the key properties of 5-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide?
5-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 63858698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).