3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methylbutanamide

C10H16N6O3 — CID 114143244

IUPAC3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)Nc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H16N6O3/c1-10(2,5-7(11)17)14-9-6(16(18)19)3-4-8(13-9)15-12/h3-4H,5,12H2,1-2H3,(H2,11,17)(H2,13,14,15)
InChIKeyWZBJMYTVNKUNAQ-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.34
Rot. Bonds6

About 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methylbutanamide

3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methylbutanamide (PubChem CID 114143244) has the molecular formula C10H16N6O3 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methylbutanamide
PubChem CID114143244
Molecular FormulaC10H16N6O3
Molecular Weight268.28 g/mol
Exact Mass268.13
IUPAC Name3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)Nc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H16N6O3/c1-10(2,5-7(11)17)14-9-6(16(18)19)3-4-8(13-9)15-12/h3-4H,5,12H2,1-2H3,(H2,11,17)(H2,13,14,15)
InChIKeyWZBJMYTVNKUNAQ-UHFFFAOYSA-N
XLogP0.34
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

3-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide
CID 106097286
2-ethyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 80918744
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propan-1-ol
CID 80943307
N-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 103466734
1-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 80916085
methyl 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanoate
CID 80899106
2-methyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide
CID 80819815
3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-4-nitrobenzoic acid
CID 106096887
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propane-1,2-diol
CID 80922216
6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]-3-nitropyridin-2-amine
CID 80927069
6-hydrazinyl-N-(3-methylsulfanylpropyl)-3-nitropyridin-2-amine
CID 80912104

Frequently Asked Questions

What is the IUPAC name of 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methylbutanamide (CID 114143244) is 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methylbutanamide is CC(C)(CC(N)=O)Nc1nc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methylbutanamide?
The InChIKey is WZBJMYTVNKUNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O3/c1-10(2,5-7(11)17)14-9-6(16(18)19)3-4-8(13-9)15-12/h3-4H,5,12H2,1-2H3,(H2,11,17)(H2,13,14,15).
What are the key properties of 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methylbutanamide?
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methylbutanamide has a molecular weight of 268.28 g/mol, XLogP of 0.34, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methylbutanamide is sourced from PubChem (CID 114143244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).