N-ethyl-N-methyl-2-[(4-nitro-2-pyridinyl)amino]propanamide

C11H16N4O3 — CID 103111708

IUPACN-ethyl-N-methyl-2-[(4-nitro-2-pyridinyl)amino]propanamide
SMILESCCN(C)C(=O)C(C)Nc1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C11H16N4O3/c1-4-14(3)11(16)8(2)13-10-7-9(15(17)18)5-6-12-10/h5-8H,4H2,1-3H3,(H,12,13)
InChIKeyHTERBRHCQOQTRS-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.27
Rot. Bonds5

About N-ethyl-N-methyl-2-[(4-nitro-2-pyridinyl)amino]propanamide

N-ethyl-N-methyl-2-[(4-nitro-2-pyridinyl)amino]propanamide (PubChem CID 103111708) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[(4-nitro-2-pyridinyl)amino]propanamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[(4-nitro-2-pyridinyl)amino]propanamide
PubChem CID103111708
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-ethyl-N-methyl-2-[(4-nitro-2-pyridinyl)amino]propanamide
SMILESCCN(C)C(=O)C(C)Nc1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C11H16N4O3/c1-4-14(3)11(16)8(2)13-10-7-9(15(17)18)5-6-12-10/h5-8H,4H2,1-3H3,(H,12,13)
InChIKeyHTERBRHCQOQTRS-UHFFFAOYSA-N
XLogP1.27
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.27
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-(2-amino-4-nitroanilino)-N-ethyl-N-methylpropanamide
CID 103106754
N-ethyl-N-methyl-2-(pyrimidin-4-ylamino)propanamide
CID 103111508
N-ethyl-N-methyl-2-(3-methyl-5-nitroanilino)propanamide
CID 103111339
1-[(4-nitro-2-pyridinyl)amino]butan-2-one
CID 159524521
N-ethyl-2-[(6-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 103114097
2-methyl-6-[(4-nitro-2-pyridinyl)amino]heptanoic acid
CID 65289526
1,1-dimethyl-2-(4-nitro-2-pyridinyl)hydrazine
CID 83025826
N-but-3-yn-2-yl-4-nitropyridin-2-amine
CID 114418011
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-iodo-5-nitrobenzamide
CID 103108322
4-nitro-N-octan-4-ylpyridin-2-amine
CID 106026446
2-[(4-amino-2-pyridinyl)amino]-N,N-diethylpropanamide
CID 113408299
N-ethyl-N-methyl-2-[(6-methylpyridazin-3-yl)amino]propanamide
CID 103111706

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[(4-nitro-2-pyridinyl)amino]propanamide?
The IUPAC name of N-ethyl-N-methyl-2-[(4-nitro-2-pyridinyl)amino]propanamide (CID 103111708) is N-ethyl-N-methyl-2-[(4-nitro-2-pyridinyl)amino]propanamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[(4-nitro-2-pyridinyl)amino]propanamide?
The canonical SMILES for N-ethyl-N-methyl-2-[(4-nitro-2-pyridinyl)amino]propanamide is CCN(C)C(=O)C(C)Nc1cc([N+](=O)[O-])ccn1.
What is the InChIKey of N-ethyl-N-methyl-2-[(4-nitro-2-pyridinyl)amino]propanamide?
The InChIKey is HTERBRHCQOQTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-4-14(3)11(16)8(2)13-10-7-9(15(17)18)5-6-12-10/h5-8H,4H2,1-3H3,(H,12,13).
What are the key properties of N-ethyl-N-methyl-2-[(4-nitro-2-pyridinyl)amino]propanamide?
N-ethyl-N-methyl-2-[(4-nitro-2-pyridinyl)amino]propanamide has a molecular weight of 252.27 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[(4-nitro-2-pyridinyl)amino]propanamide is sourced from PubChem (CID 103111708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).