N-[2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethyl]acetamide

C10H14N4O3 — CID 66281352

IUPACN-[2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ncc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O3/c1-7-5-9(14(16)17)10(13-6-7)12-4-3-11-8(2)15/h5-6H,3-4H2,1-2H3,(H,11,15)(H,12,13)
InChIKeyMZBATXUHGRRGRD-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.85
Rot. Bonds5

About N-[2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethyl]acetamide

N-[2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethyl]acetamide (PubChem CID 66281352) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is N-[2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethyl]acetamide
PubChem CID66281352
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC NameN-[2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ncc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O3/c1-7-5-9(14(16)17)10(13-6-7)12-4-3-11-8(2)15/h5-6H,3-4H2,1-2H3,(H,11,15)(H,12,13)
InChIKeyMZBATXUHGRRGRD-UHFFFAOYSA-N
XLogP0.85
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethylurea
CID 79035548
2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 65439508
4-[(5-methyl-3-nitro-2-pyridinyl)amino]butan-2-ol
CID 66281150
5-[(5-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol
CID 107269289
N,N-diethyl-2-[(5-methyl-3-nitro-2-pyridinyl)amino]acetamide
CID 115658747
5-methyl-N-(3-methylsulfinylbutyl)-3-nitropyridin-2-amine
CID 115715841
N-cyclopropyl-N'-(5-methyl-3-nitro-2-pyridinyl)propane-1,3-diamine
CID 66278299
1-[2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107498237
5-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridin-2-amine
CID 102913909
1-N-(5-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine
CID 66279622
5-methyl-3-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine
CID 106404269
N-benzyl-5-methyl-3-nitropyridin-2-amine
CID 24903143

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethyl]acetamide (CID 66281352) is N-[2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethyl]acetamide is CC(=O)NCCNc1ncc(C)cc1[N+](=O)[O-].
What is the InChIKey of N-[2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethyl]acetamide?
The InChIKey is MZBATXUHGRRGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-7-5-9(14(16)17)10(13-6-7)12-4-3-11-8(2)15/h5-6H,3-4H2,1-2H3,(H,11,15)(H,12,13).
What are the key properties of N-[2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethyl]acetamide?
N-[2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethyl]acetamide has a molecular weight of 238.25 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethyl]acetamide is sourced from PubChem (CID 66281352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).