N-tert-butyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetamide

C12H18N4O3 — CID 81333468

IUPACN-tert-butyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetamide
SMILESCc1ccc([N+](=O)[O-])c(NCC(=O)NC(C)(C)C)n1
InChIInChI=1S/C12H18N4O3/c1-8-5-6-9(16(18)19)11(14-8)13-7-10(17)15-12(2,3)4/h5-6H,7H2,1-4H3,(H,13,14)(H,15,17)
InChIKeyAXQNZQHEAPBAJO-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.62
Rot. Bonds4

About N-tert-butyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetamide

N-tert-butyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetamide (PubChem CID 81333468) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-tert-butyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetamide
PubChem CID81333468
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-tert-butyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetamide
SMILESCc1ccc([N+](=O)[O-])c(NCC(=O)NC(C)(C)C)n1
InChIInChI=1S/C12H18N4O3/c1-8-5-6-9(16(18)19)11(14-8)13-7-10(17)15-12(2,3)4/h5-6H,7H2,1-4H3,(H,13,14)(H,15,17)
InChIKeyAXQNZQHEAPBAJO-UHFFFAOYSA-N
XLogP1.62
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.62
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

2-[[2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid
CID 81131544
2,4-dimethyl-1-[(6-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol
CID 81139120
6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
CID 81138941
4-methyl-4-[(6-methyl-3-nitro-2-pyridinyl)amino]pentanoic acid
CID 81131671
N-(2-ethyl-2-methylsulfanylbutyl)-6-methyl-3-nitropyridin-2-amine
CID 103780075
6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918195
1-[[(6-methyl-3-nitro-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312206
6-methyl-N-(2-methyl-2-phenylpropyl)-3-nitropyridin-2-amine
CID 81140719
2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide
CID 80792164
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N-methylacetamide
CID 80782745
N-tert-butyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide
CID 83268004
3-[[(6-methyl-3-nitro-2-pyridinyl)amino]methyl]pentan-1-ol
CID 81138189

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetamide (CID 81333468) is N-tert-butyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetamide is Cc1ccc([N+](=O)[O-])c(NCC(=O)NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetamide?
The InChIKey is AXQNZQHEAPBAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8-5-6-9(16(18)19)11(14-8)13-7-10(17)15-12(2,3)4/h5-6H,7H2,1-4H3,(H,13,14)(H,15,17).
What are the key properties of N-tert-butyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetamide?
N-tert-butyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetamide has a molecular weight of 266.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetamide is sourced from PubChem (CID 81333468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).