2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-phenylethyl]acetamide

C15H15N3O4 — CID 7890378

IUPAC2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccccc1
InChIInChI=1S/C15H15N3O4/c1-11(12-5-3-2-4-6-12)16-14(19)10-17-9-13(18(21)22)7-8-15(17)20/h2-9,11H,10H2,1H3,(H,16,19)/t11-/m1/s1
InChIKeyIXHZLTUIPOYJRV-LLVKDONJSA-N
MW301.30 g/mol
LogP1.63
Rot. Bonds5

About 2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-phenylethyl]acetamide

2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 7890378) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-phenylethyl]acetamide
PubChem CID7890378
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccccc1
InChIInChI=1S/C15H15N3O4/c1-11(12-5-3-2-4-6-12)16-14(19)10-17-9-13(18(21)22)7-8-15(17)20/h2-9,11H,10H2,1H3,(H,16,19)/t11-/m1/s1
InChIKeyIXHZLTUIPOYJRV-LLVKDONJSA-N
XLogP1.63
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.63
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

N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890090
2-(5-amino-2-oxo-1-pyridinyl)-N-(1-phenylethyl)acetamide
CID 62816679
N-[(2R)-butan-2-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7467794
2-(5-nitro-2-oxo-1-pyridinyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]acetamide
CID 60513427
2-(4-nitrophenyl)-N-(1-phenylethyl)acetamide
CID 2726136
N-(2,6-diethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890319
N-(2-ethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890330
4-methyl-2-[[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]methyl]pentanoic acid
CID 119252743
N-[3-(aminomethyl)pentan-3-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 119571533
N-(2-cyanophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7467854
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 8632487
N-ethyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-phenylacetamide
CID 9453926

Frequently Asked Questions

What is the IUPAC name of 2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-phenylethyl]acetamide (CID 7890378) is 2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-phenylethyl]acetamide is C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccccc1.
What is the InChIKey of 2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is IXHZLTUIPOYJRV-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-11(12-5-3-2-4-6-12)16-14(19)10-17-9-13(18(21)22)7-8-15(17)20/h2-9,11H,10H2,1H3,(H,16,19)/t11-/m1/s1.
What are the key properties of 2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-phenylethyl]acetamide?
2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 301.30 g/mol, XLogP of 1.63, 5 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-phenylethyl]acetamide is sourced from PubChem (CID 7890378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).