1-cyclopropyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine

C11H16N4O2 — CID 65193961

IUPAC1-cyclopropyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESCc1ccnc(NC(CN)C2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O2/c1-7-4-5-13-11(10(7)15(16)17)14-9(6-12)8-2-3-8/h4-5,8-9H,2-3,6,12H2,1H3,(H,13,14)
InChIKeyFDRYNWMZRRRSAC-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.45
Rot. Bonds5

About 1-cyclopropyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine

1-cyclopropyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine (PubChem CID 65193961) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-cyclopropyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
PubChem CID65193961
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-cyclopropyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESCc1ccnc(NC(CN)C2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O2/c1-7-4-5-13-11(10(7)15(16)17)14-9(6-12)8-2-3-8/h4-5,8-9H,2-3,6,12H2,1H3,(H,13,14)
InChIKeyFDRYNWMZRRRSAC-UHFFFAOYSA-N
XLogP1.45
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
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-cyclohexyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115309514
4-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 24903132
1-cyclohexyl-N-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115309440
1-cyclopentyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 133306955
1-cyclopentyl-N-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 106738165
1-cyclopropyl-N-(4-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 79176066
N-[(1S)-1-cyclopropylpropyl]-4-(2,4-dichlorophenyl)-3-nitropyridin-2-amine
CID 62705475
1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine
CID 65189039
N-hex-1-yn-3-yl-4-methyl-3-nitropyridin-2-amine
CID 106231717
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methyl-3-nitropyridin-2-amine
CID 115309017
N-hex-5-yn-3-yl-4-methyl-3-nitropyridin-2-amine
CID 113243931
N-(2,6-dimethylpiperidin-1-yl)-4-methyl-3-nitropyridin-2-amine
CID 83026251

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine (CID 65193961) is 1-cyclopropyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine is Cc1ccnc(NC(CN)C2CC2)c1[N+](=O)[O-].
What is the InChIKey of 1-cyclopropyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is FDRYNWMZRRRSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7-4-5-13-11(10(7)15(16)17)14-9(6-12)8-2-3-8/h4-5,8-9H,2-3,6,12H2,1H3,(H,13,14).
What are the key properties of 1-cyclopropyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine?
1-cyclopropyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 236.27 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-cyclopropyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 65193961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).