N-(2,3-dihydro-1H-inden-5-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide

C17H17N3O4 — CID 4875313

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3c(c2)CCC3)c([N+](=O)[O-])n1
InChIInChI=1S/C17H17N3O4/c1-11-5-8-15(17(18-11)20(22)23)24-10-16(21)19-14-7-6-12-3-2-4-13(12)9-14/h5-9H,2-4,10H2,1H3,(H,19,21)
InChIKeyNAZHGCLOMAESHM-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.80
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-5-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide (PubChem CID 4875313) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
PubChem CID4875313
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3c(c2)CCC3)c([N+](=O)[O-])n1
InChIInChI=1S/C17H17N3O4/c1-11-5-8-15(17(18-11)20(22)23)24-10-16(21)19-14-7-6-12-3-2-4-13(12)9-14/h5-9H,2-4,10H2,1H3,(H,19,21)
InChIKeyNAZHGCLOMAESHM-UHFFFAOYSA-N
XLogP2.80
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.80
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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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide (CID 4875313) is N-(2,3-dihydro-1H-inden-5-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide is Cc1ccc(OCC(=O)Nc2ccc3c(c2)CCC3)c([N+](=O)[O-])n1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
The InChIKey is NAZHGCLOMAESHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-11-5-8-15(17(18-11)20(22)23)24-10-16(21)19-14-7-6-12-3-2-4-13(12)9-14/h5-9H,2-4,10H2,1H3,(H,19,21).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide has a molecular weight of 327.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide is sourced from PubChem (CID 4875313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).