1-N-(5-methyl-3-nitro-2-pyridinyl)butane-1,2-diamine

C10H16N4O2 — CID 66279624

IUPAC1-N-(5-methyl-3-nitro-2-pyridinyl)butane-1,2-diamine
SMILESCCC(N)CNc1ncc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O2/c1-3-8(11)6-13-10-9(14(15)16)4-7(2)5-12-10/h4-5,8H,3,6,11H2,1-2H3,(H,12,13)
InChIKeyIDMIXKRREYDDMD-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.45
Rot. Bonds5

About 1-N-(5-methyl-3-nitro-2-pyridinyl)butane-1,2-diamine

1-N-(5-methyl-3-nitro-2-pyridinyl)butane-1,2-diamine (PubChem CID 66279624) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-N-(5-methyl-3-nitro-2-pyridinyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-methyl-3-nitro-2-pyridinyl)butane-1,2-diamine
PubChem CID66279624
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name1-N-(5-methyl-3-nitro-2-pyridinyl)butane-1,2-diamine
SMILESCCC(N)CNc1ncc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O2/c1-3-8(11)6-13-10-9(14(15)16)4-7(2)5-12-10/h4-5,8H,3,6,11H2,1-2H3,(H,12,13)
InChIKeyIDMIXKRREYDDMD-UHFFFAOYSA-N
XLogP1.45
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.45
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

1-N-(5-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine
CID 66279622
5-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridin-2-amine
CID 102913909
2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 65439508
5-methyl-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 79035165
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
(1S)-1-(5-methyl-3-nitro-2-pyridinyl)propan-1-amine
CID 130610698
5-[(5-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol
CID 107269289
2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethylurea
CID 79035548
N-benzyl-5-methyl-3-nitropyridin-2-amine
CID 24903143
5-methyl-N-(3-methylsulfinylbutyl)-3-nitropyridin-2-amine
CID 115715841
N,N-diethyl-2-[(5-methyl-3-nitro-2-pyridinyl)amino]acetamide
CID 115658747

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-methyl-3-nitro-2-pyridinyl)butane-1,2-diamine?
The IUPAC name of 1-N-(5-methyl-3-nitro-2-pyridinyl)butane-1,2-diamine (CID 66279624) is 1-N-(5-methyl-3-nitro-2-pyridinyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-(5-methyl-3-nitro-2-pyridinyl)butane-1,2-diamine?
The canonical SMILES for 1-N-(5-methyl-3-nitro-2-pyridinyl)butane-1,2-diamine is CCC(N)CNc1ncc(C)cc1[N+](=O)[O-].
What is the InChIKey of 1-N-(5-methyl-3-nitro-2-pyridinyl)butane-1,2-diamine?
The InChIKey is IDMIXKRREYDDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-3-8(11)6-13-10-9(14(15)16)4-7(2)5-12-10/h4-5,8H,3,6,11H2,1-2H3,(H,12,13).
What are the key properties of 1-N-(5-methyl-3-nitro-2-pyridinyl)butane-1,2-diamine?
1-N-(5-methyl-3-nitro-2-pyridinyl)butane-1,2-diamine has a molecular weight of 224.26 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-methyl-3-nitro-2-pyridinyl)butane-1,2-diamine is sourced from PubChem (CID 66279624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).