N-methyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]propanamide

C10H14N4O3 — CID 81139032

IUPACN-methyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]propanamide
SMILESCNC(=O)C(C)Nc1nc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O3/c1-6-4-5-8(14(16)17)9(12-6)13-7(2)10(15)11-3/h4-5,7H,1-3H3,(H,11,15)(H,12,13)
InChIKeyILIJKJOPISOHJU-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.84
Rot. Bonds4

About N-methyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]propanamide

N-methyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]propanamide (PubChem CID 81139032) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is N-methyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]propanamide.

Molecular Properties

Compound NameN-methyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]propanamide
PubChem CID81139032
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC NameN-methyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]propanamide
SMILESCNC(=O)C(C)Nc1nc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O3/c1-6-4-5-8(14(16)17)9(12-6)13-7(2)10(15)11-3/h4-5,7H,1-3H3,(H,11,15)(H,12,13)
InChIKeyILIJKJOPISOHJU-UHFFFAOYSA-N
XLogP0.84
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.84
H-Bond Donors ≤ 52
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

6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 81138782
6-methyl-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine
CID 81138251
2-methyl-6-[(6-methyl-3-nitro-2-pyridinyl)amino]heptanoic acid
CID 81139931
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methyl-3-nitropyridin-2-amine
CID 81138254
6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
CID 81138941
ethane;N-methyl-2-(4-methyl-2,6-dinitroanilino)propanamide
CID 165340031
1-[4-[(6-methyl-3-nitro-2-pyridinyl)amino]phenyl]ethanone
CID 118366441
methyl 2-[(6-amino-3-nitro-2-pyridinyl)amino]propanoate
CID 70979729
N-ethyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanamide
CID 80898006
methyl (2R)-2-[(6-bromo-3-nitro-2-pyridinyl)amino]propanoate
CID 149218444
2,4-dimethyl-1-[(6-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol
CID 81139120
N-ethyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide
CID 80784224

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]propanamide?
The IUPAC name of N-methyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]propanamide (CID 81139032) is N-methyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]propanamide.
What is the SMILES notation for N-methyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]propanamide?
The canonical SMILES for N-methyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]propanamide is CNC(=O)C(C)Nc1nc(C)ccc1[N+](=O)[O-].
What is the InChIKey of N-methyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]propanamide?
The InChIKey is ILIJKJOPISOHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-6-4-5-8(14(16)17)9(12-6)13-7(2)10(15)11-3/h4-5,7H,1-3H3,(H,11,15)(H,12,13).
What are the key properties of N-methyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]propanamide?
N-methyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]propanamide has a molecular weight of 238.25 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]propanamide is sourced from PubChem (CID 81139032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).