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

C21H20N4O4 — CID 46412912

IUPAC2-(2-methoxyanilino)-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1Nc1ncccc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C21H20N4O4/c1-24(14-15-8-3-5-11-18(15)25(27)28)21(26)16-9-7-13-22-20(16)23-17-10-4-6-12-19(17)29-2/h3-13H,14H2,1-2H3,(H,22,23)
InChIKeyJRNSIYOGJBYHFB-UHFFFAOYSA-N
MW392.42 g/mol
LogP4.01
Rot. Bonds7

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

2-(2-methoxyanilino)-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide (PubChem CID 46412912) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide
PubChem CID46412912
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name2-(2-methoxyanilino)-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1Nc1ncccc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C21H20N4O4/c1-24(14-15-8-3-5-11-18(15)25(27)28)21(26)16-9-7-13-22-20(16)23-17-10-4-6-12-19(17)29-2/h3-13H,14H2,1-2H3,(H,22,23)
InChIKeyJRNSIYOGJBYHFB-UHFFFAOYSA-N
XLogP4.01
TPSA97.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
2-(2-methoxyanilino)-N-propylpyridine-3-carboxamide
CID 32736796
2-(2-methoxyanilino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 31667067
3-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide
CID 115645822
N,5-dimethyl-N-[(2-nitrophenyl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46399431
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 55394070
2-(2-bromoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 23632978
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-nitrobenzamide
CID 18111557
N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethyl-3-nitrobenzamide
CID 18111743
2-(2-methoxyanilino)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 31945919
3-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 61417620
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyridine-3-carboxamide
CID 2525601

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2-methoxyanilino)-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide (CID 46412912) is 2-(2-methoxyanilino)-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide is COc1ccccc1Nc1ncccc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-methoxyanilino)-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is JRNSIYOGJBYHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-24(14-15-8-3-5-11-18(15)25(27)28)21(26)16-9-7-13-22-20(16)23-17-10-4-6-12-19(17)29-2/h3-13H,14H2,1-2H3,(H,22,23).
What are the key properties of 2-(2-methoxyanilino)-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide?
2-(2-methoxyanilino)-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 46412912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).