N-(1-aminopropan-2-yl)-N-methyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

C11H16N4O4 — CID 119584638

IUPACN-(1-aminopropan-2-yl)-N-methyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESCC(CN)N(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O
InChIInChI=1S/C11H16N4O4/c1-8(5-12)13(2)11(17)7-14-6-9(15(18)19)3-4-10(14)16/h3-4,6,8H,5,7,12H2,1-2H3
InChIKeyRVNHFHYNIJNPIV-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.44
Rot. Bonds5

About N-(1-aminopropan-2-yl)-N-methyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

N-(1-aminopropan-2-yl)-N-methyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (PubChem CID 119584638) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
PubChem CID119584638
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESCC(CN)N(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O
InChIInChI=1S/C11H16N4O4/c1-8(5-12)13(2)11(17)7-14-6-9(15(18)19)3-4-10(14)16/h3-4,6,8H,5,7,12H2,1-2H3
InChIKeyRVNHFHYNIJNPIV-UHFFFAOYSA-N
XLogP-0.44
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.44
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

2-[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]-propan-2-ylamino]acetic acid
CID 119198013
N-ethyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-phenylacetamide
CID 9453926
3-[methyl-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid
CID 119232404
N-(1-aminopropan-2-yl)-N-methyl-2-(2-oxo-1-pyridinyl)acetamide
CID 119583477
N-[(2R)-butan-2-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7467794
N-ethyl-N-(2-methylprop-2-enyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 84603998
N-[3-(aminomethyl)pentan-3-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 119571533
N-(1-aminohexan-2-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride
CID 119668173
2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-phenylethyl]acetamide
CID 7890378
N-(cyclohexen-1-yl)-N-ethyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 18127614
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7489364
N-(1-aminopropan-2-yl)-N-methyl-3-(4-nitropyrazol-1-yl)propanamide;hydrochloride
CID 119583121

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (CID 119584638) is N-(1-aminopropan-2-yl)-N-methyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is CC(CN)N(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The InChIKey is RVNHFHYNIJNPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-8(5-12)13(2)11(17)7-14-6-9(15(18)19)3-4-10(14)16/h3-4,6,8H,5,7,12H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
N-(1-aminopropan-2-yl)-N-methyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide has a molecular weight of 268.27 g/mol, XLogP of -0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 119584638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).