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

C12H18N4O3 — CID 115658747

IUPACN,N-diethyl-2-[(5-methyl-3-nitro-2-pyridinyl)amino]acetamide
SMILESCCN(CC)C(=O)CNc1ncc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O3/c1-4-15(5-2)11(17)8-14-12-10(16(18)19)6-9(3)7-13-12/h6-7H,4-5,8H2,1-3H3,(H,13,14)
InChIKeyKNZJIMOXSIDFBL-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.58
Rot. Bonds6

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

N,N-diethyl-2-[(5-methyl-3-nitro-2-pyridinyl)amino]acetamide (PubChem CID 115658747) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N,N-diethyl-2-[(5-methyl-3-nitro-2-pyridinyl)amino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(5-methyl-3-nitro-2-pyridinyl)amino]acetamide
PubChem CID115658747
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN,N-diethyl-2-[(5-methyl-3-nitro-2-pyridinyl)amino]acetamide
SMILESCCN(CC)C(=O)CNc1ncc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O3/c1-4-15(5-2)11(17)8-14-12-10(16(18)19)6-9(3)7-13-12/h6-7H,4-5,8H2,1-3H3,(H,13,14)
InChIKeyKNZJIMOXSIDFBL-UHFFFAOYSA-N
XLogP1.58
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.58
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-[(3-bromo-5-nitro-2-pyridinyl)amino]-N,N-diethylacetamide
CID 112696597
2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 65439508
N-[2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethyl]acetamide
CID 66281352
2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethylurea
CID 79035548
N,N-diethyl-2-[(5-methylpyrimidin-2-yl)amino]acetamide
CID 115773989
N-[(4-ethylphenyl)methyl]-5-methyl-3-nitropyridin-2-amine
CID 103704940
4-[(5-methyl-3-nitro-2-pyridinyl)amino]butan-2-ol
CID 66281150
1-N-(5-methyl-3-nitro-2-pyridinyl)butane-1,2-diamine
CID 66279624
5-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridin-2-amine
CID 102913909
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N,N-diethylacetamide
CID 112699018
1-N-(5-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine
CID 66279622
5-[(5-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol
CID 107269289

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(5-methyl-3-nitro-2-pyridinyl)amino]acetamide?
The IUPAC name of N,N-diethyl-2-[(5-methyl-3-nitro-2-pyridinyl)amino]acetamide (CID 115658747) is N,N-diethyl-2-[(5-methyl-3-nitro-2-pyridinyl)amino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(5-methyl-3-nitro-2-pyridinyl)amino]acetamide?
The canonical SMILES for N,N-diethyl-2-[(5-methyl-3-nitro-2-pyridinyl)amino]acetamide is CCN(CC)C(=O)CNc1ncc(C)cc1[N+](=O)[O-].
What is the InChIKey of N,N-diethyl-2-[(5-methyl-3-nitro-2-pyridinyl)amino]acetamide?
The InChIKey is KNZJIMOXSIDFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-4-15(5-2)11(17)8-14-12-10(16(18)19)6-9(3)7-13-12/h6-7H,4-5,8H2,1-3H3,(H,13,14).
What are the key properties of N,N-diethyl-2-[(5-methyl-3-nitro-2-pyridinyl)amino]acetamide?
N,N-diethyl-2-[(5-methyl-3-nitro-2-pyridinyl)amino]acetamide has a molecular weight of 266.30 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(5-methyl-3-nitro-2-pyridinyl)amino]acetamide is sourced from PubChem (CID 115658747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).