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

C9H14N4O2 — CID 66279622

IUPAC1-N-(5-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine
SMILESCc1cnc(NCC(C)N)c([N+](=O)[O-])c1
InChIInChI=1S/C9H14N4O2/c1-6-3-8(13(14)15)9(11-4-6)12-5-7(2)10/h3-4,7H,5,10H2,1-2H3,(H,11,12)
InChIKeyBEOSYEDWKZVUDB-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.06
Rot. Bonds4

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

1-N-(5-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine (PubChem CID 66279622) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-N-(5-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine
PubChem CID66279622
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1-N-(5-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine
SMILESCc1cnc(NCC(C)N)c([N+](=O)[O-])c1
InChIInChI=1S/C9H14N4O2/c1-6-3-8(13(14)15)9(11-4-6)12-5-7(2)10/h3-4,7H,5,10H2,1-2H3,(H,11,12)
InChIKeyBEOSYEDWKZVUDB-UHFFFAOYSA-N
XLogP1.06
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.06
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)butane-1,2-diamine
CID 66279624
5-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridin-2-amine
CID 102913909
5-methyl-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 79035165
4-[(5-methyl-3-nitro-2-pyridinyl)amino]butan-2-ol
CID 66281150
2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethylurea
CID 79035548
5-[(5-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol
CID 107269289
2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 65439508
5-methyl-N-(3-methylsulfinylbutyl)-3-nitropyridin-2-amine
CID 115715841
N-(5-chloro-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 115303224
N-(5-bromo-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 113282676
N-benzyl-5-methyl-3-nitropyridin-2-amine
CID 24903143
5-methyl-N-(5-methylhexan-2-yl)-3-nitropyridin-2-amine
CID 66278295

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine?
The IUPAC name of 1-N-(5-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine (CID 66279622) is 1-N-(5-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(5-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine?
The canonical SMILES for 1-N-(5-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine is Cc1cnc(NCC(C)N)c([N+](=O)[O-])c1.
What is the InChIKey of 1-N-(5-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine?
The InChIKey is BEOSYEDWKZVUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6-3-8(13(14)15)9(11-4-6)12-5-7(2)10/h3-4,7H,5,10H2,1-2H3,(H,11,12).
What are the key properties of 1-N-(5-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine?
1-N-(5-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine has a molecular weight of 210.24 g/mol, XLogP of 1.06, 4 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)propane-1,2-diamine is sourced from PubChem (CID 66279622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).