3-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide

C14H12FN3O3 — CID 115645822

IUPAC3-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide
SMILESCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccncc1F
InChIInChI=1S/C14H12FN3O3/c1-17(14(19)11-6-7-16-8-12(11)15)9-10-4-2-3-5-13(10)18(20)21/h2-8H,9H2,1H3
InChIKeyJKTVVIHOYZIVSA-UHFFFAOYSA-N
MW289.27 g/mol
LogP2.40
Rot. Bonds4

About 3-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide

3-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide (PubChem CID 115645822) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide
PubChem CID115645822
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC Name3-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide
SMILESCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccncc1F
InChIInChI=1S/C14H12FN3O3/c1-17(14(19)11-6-7-16-8-12(11)15)9-10-4-2-3-5-13(10)18(20)21/h2-8H,9H2,1H3
InChIKeyJKTVVIHOYZIVSA-UHFFFAOYSA-N
XLogP2.40
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
N-[(2,3-dichlorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 115645448
3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 113240917
1-(4-fluorophenyl)-N,5-dimethyl-N-[(2-nitrophenyl)methyl]pyrazole-4-carboxamide
CID 46413058
5-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide
CID 63858698
5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]benzamide
CID 39142258
N,5-dimethyl-N-[(2-nitrophenyl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46399431
4-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 81226236
7-fluoro-N,2-dimethyl-N-[(2-nitrophenyl)methyl]quinoline-4-carboxamide
CID 46687409
N-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 64949261
3-fluoro-N,N-dimethylpyridine-4-carboxamide
CID 64950687
5-acetyl-N-methyl-N-[(2-nitrophenyl)methyl]thiophene-2-carboxamide
CID 46399191

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide (CID 115645822) is 3-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide is CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide?
The InChIKey is JKTVVIHOYZIVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c1-17(14(19)11-6-7-16-8-12(11)15)9-10-4-2-3-5-13(10)18(20)21/h2-8H,9H2,1H3.
What are the key properties of 3-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide?
3-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide has a molecular weight of 289.27 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 115645822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).