N-(2-methoxy-4-nitrophenyl)-2-(pyridin-4-ylmethylamino)acetamide

C15H16N4O4 — CID 17066743

IUPACN-(2-methoxy-4-nitrophenyl)-2-(pyridin-4-ylmethylamino)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CNCc1ccncc1
InChIInChI=1S/C15H16N4O4/c1-23-14-8-12(19(21)22)2-3-13(14)18-15(20)10-17-9-11-4-6-16-7-5-11/h2-8,17H,9-10H2,1H3,(H,18,20)
InChIKeySFKJHBUIQORUIO-UHFFFAOYSA-N
MW316.32 g/mol
LogP1.73
Rot. Bonds7

About N-(2-methoxy-4-nitrophenyl)-2-(pyridin-4-ylmethylamino)acetamide

N-(2-methoxy-4-nitrophenyl)-2-(pyridin-4-ylmethylamino)acetamide (PubChem CID 17066743) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-2-(pyridin-4-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-2-(pyridin-4-ylmethylamino)acetamide
PubChem CID17066743
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC NameN-(2-methoxy-4-nitrophenyl)-2-(pyridin-4-ylmethylamino)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CNCc1ccncc1
InChIInChI=1S/C15H16N4O4/c1-23-14-8-12(19(21)22)2-3-13(14)18-15(20)10-17-9-11-4-6-16-7-5-11/h2-8,17H,9-10H2,1H3,(H,18,20)
InChIKeySFKJHBUIQORUIO-UHFFFAOYSA-N
XLogP1.73
TPSA106.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
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-(2-methoxy-4-nitrophenyl)-2-[(4-sulfamoylphenyl)methylamino]acetamide
CID 17066746
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] pyridine-4-carboxylate
CID 7788460
2-(2,6-dimethylanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 30706268
methyl 4-(2-methoxy-4-nitroanilino)-4-oxobutanoate
CID 54781631
N-(2-methoxy-4-nitrophenyl)-2-(3-methylpyrazol-1-yl)acetamide
CID 19516847
2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2892197
N'-(2-methoxy-4-nitrophenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 108512912
7-amino-N-(2-methoxy-4-nitrophenyl)heptanamide
CID 43708535
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 19580192
2-(4-chloro-2-fluoroanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 4786705
3-ethoxy-N-(2-methoxy-4-nitrophenyl)propanamide
CID 2975776

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-(pyridin-4-ylmethylamino)acetamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-(pyridin-4-ylmethylamino)acetamide (CID 17066743) is N-(2-methoxy-4-nitrophenyl)-2-(pyridin-4-ylmethylamino)acetamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-2-(pyridin-4-ylmethylamino)acetamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-2-(pyridin-4-ylmethylamino)acetamide is COc1cc([N+](=O)[O-])ccc1NC(=O)CNCc1ccncc1.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-2-(pyridin-4-ylmethylamino)acetamide?
The InChIKey is SFKJHBUIQORUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-23-14-8-12(19(21)22)2-3-13(14)18-15(20)10-17-9-11-4-6-16-7-5-11/h2-8,17H,9-10H2,1H3,(H,18,20).
What are the key properties of N-(2-methoxy-4-nitrophenyl)-2-(pyridin-4-ylmethylamino)acetamide?
N-(2-methoxy-4-nitrophenyl)-2-(pyridin-4-ylmethylamino)acetamide has a molecular weight of 316.32 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-2-(pyridin-4-ylmethylamino)acetamide is sourced from PubChem (CID 17066743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).