2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C17H17N3O4 — CID 7890107

IUPAC2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C17H17N3O4/c21-16(11-19-10-13(20(23)24)8-9-17(19)22)18-15-7-3-5-12-4-1-2-6-14(12)15/h1-2,4,6,8-10,15H,3,5,7,11H2,(H,18,21)/t15-/m1/s1
InChIKeyMRNRVOKFAUGAJZ-OAHLLOKOSA-N
MW327.34 g/mol
LogP1.95
Rot. Bonds4

About 2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 7890107) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID7890107
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C17H17N3O4/c21-16(11-19-10-13(20(23)24)8-9-17(19)22)18-15-7-3-5-12-4-1-2-6-14(12)15/h1-2,4,6,8-10,15H,3,5,7,11H2,(H,18,21)/t15-/m1/s1
InChIKeyMRNRVOKFAUGAJZ-OAHLLOKOSA-N
XLogP1.95
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.95
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

2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55402922
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51142666
2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7819453
N-[2-(aminomethyl)cyclopentyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 119604554
N-(2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide
CID 71821715
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 94025031
2-(5-oxo-1,4-diazepan-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 164634917
2-(benzimidazol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40512092
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-nitrobenzoate
CID 2622405
2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7854209
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-methyl-5-nitrobenzoate
CID 60596516
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7688342

Frequently Asked Questions

What is the IUPAC name of 2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 7890107) is 2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of 2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is MRNRVOKFAUGAJZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17N3O4/c21-16(11-19-10-13(20(23)24)8-9-17(19)22)18-15-7-3-5-12-4-1-2-6-14(12)15/h1-2,4,6,8-10,15H,3,5,7,11H2,(H,18,21)/t15-/m1/s1.
What are the key properties of 2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 327.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 7890107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).