3-[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide

C11H18N6O3 — CID 114071562

IUPAC3-[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1cc([N+](=O)[O-])cc(NN)n1
InChIInChI=1S/C11H18N6O3/c1-7(11(18)13-2)6-16(3)10-5-8(17(19)20)4-9(14-10)15-12/h4-5,7H,6,12H2,1-3H3,(H,13,18)(H,14,15)
InChIKeySWJNCLZSEZVRIY-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.09
Rot. Bonds6

About 3-[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide

3-[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide (PubChem CID 114071562) has the molecular formula C11H18N6O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
PubChem CID114071562
Molecular FormulaC11H18N6O3
Molecular Weight282.30 g/mol
Exact Mass282.14
IUPAC Name3-[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1cc([N+](=O)[O-])cc(NN)n1
InChIInChI=1S/C11H18N6O3/c1-7(11(18)13-2)6-16(3)10-5-8(17(19)20)4-9(14-10)15-12/h4-5,7H,6,12H2,1-3H3,(H,13,18)(H,14,15)
InChIKeySWJNCLZSEZVRIY-UHFFFAOYSA-N
XLogP0.09
TPSA126.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.09
H-Bond Donors ≤ 53
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-chloro-4-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 103888883
3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
CID 106918798
3-[[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol
CID 114071507
N,2-dimethyl-3-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 106918708
N,2-dimethyl-3-[methyl-[6-(methylamino)pyrazin-2-yl]amino]propanamide
CID 106918612
3-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 106917521
N,2-dimethyl-3-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 106918632
N,2-dimethyl-3-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 106918664
(2R)-3-(5-bromo-N-methyl-2-nitroanilino)-N,2-dimethylpropanamide
CID 97231120
3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide
CID 106918706
3-[[5-(1-hydroxyethyl)-3-nitrothiophen-2-yl]-methylamino]-N,2-dimethylpropanamide
CID 106916389
N,2-dimethyl-3-[methyl-[2-(4-nitrophenyl)-2-oxoethyl]amino]propanamide
CID 106916615

Frequently Asked Questions

What is the IUPAC name of 3-[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide (CID 114071562) is 3-[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)c1cc([N+](=O)[O-])cc(NN)n1.
What is the InChIKey of 3-[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide?
The InChIKey is SWJNCLZSEZVRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O3/c1-7(11(18)13-2)6-16(3)10-5-8(17(19)20)4-9(14-10)15-12/h4-5,7H,6,12H2,1-3H3,(H,13,18)(H,14,15).
What are the key properties of 3-[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide?
3-[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide has a molecular weight of 282.30 g/mol, XLogP of 0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 114071562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).