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

C10H14N4O2 — CID 62663408

IUPACN-cyclopropyl-N'-(3-nitro-4-pyridinyl)ethane-1,2-diamine
SMILESO=[N+]([O-])c1cnccc1NCCNC1CC1
InChIInChI=1S/C10H14N4O2/c15-14(16)10-7-11-4-3-9(10)13-6-5-12-8-1-2-8/h3-4,7-8,12H,1-2,5-6H2,(H,11,13)
InChIKeyZKDHYBUBWNWDMZ-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.15
Rot. Bonds6

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

N-cyclopropyl-N'-(3-nitro-4-pyridinyl)ethane-1,2-diamine (PubChem CID 62663408) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-cyclopropyl-N'-(3-nitro-4-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-(3-nitro-4-pyridinyl)ethane-1,2-diamine
PubChem CID62663408
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC NameN-cyclopropyl-N'-(3-nitro-4-pyridinyl)ethane-1,2-diamine
SMILESO=[N+]([O-])c1cnccc1NCCNC1CC1
InChIInChI=1S/C10H14N4O2/c15-14(16)10-7-11-4-3-9(10)13-6-5-12-8-1-2-8/h3-4,7-8,12H,1-2,5-6H2,(H,11,13)
InChIKeyZKDHYBUBWNWDMZ-UHFFFAOYSA-N
XLogP1.15
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N-cyclopropyl-4-[(3-nitro-4-pyridinyl)amino]butanamide
CID 78920193
4-[(3-nitro-4-pyridinyl)amino]butan-1-ol
CID 19864513
N'-(3-bromo-5-nitro-4-pyridinyl)-N-cyclopropylethane-1,2-diamine
CID 103519567
3-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-4-amine
CID 113234717
6-[(3-nitro-4-pyridinyl)amino]hexan-1-ol
CID 103918222
4-N-(3-nitro-4-pyridinyl)cyclohexane-1,4-diamine
CID 62318502
1-cyclopropyl-2-[(3-nitro-4-pyridinyl)amino]ethanol
CID 63239113
N-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine
CID 62664848
N-[3-(4-methylpiperazin-1-yl)propyl]-3-nitropyridin-4-amine
CID 134098351
N-cyclopropyl-N'-(5-fluoro-2-nitrophenyl)ethane-1,2-diamine
CID 62665396
N-(2-butoxyethyl)-3-nitropyridin-4-amine
CID 61175883
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-nitropyridin-4-amine
CID 54926983

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(3-nitro-4-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-(3-nitro-4-pyridinyl)ethane-1,2-diamine (CID 62663408) is N-cyclopropyl-N'-(3-nitro-4-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-(3-nitro-4-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-(3-nitro-4-pyridinyl)ethane-1,2-diamine is O=[N+]([O-])c1cnccc1NCCNC1CC1.
What is the InChIKey of N-cyclopropyl-N'-(3-nitro-4-pyridinyl)ethane-1,2-diamine?
The InChIKey is ZKDHYBUBWNWDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c15-14(16)10-7-11-4-3-9(10)13-6-5-12-8-1-2-8/h3-4,7-8,12H,1-2,5-6H2,(H,11,13).
What are the key properties of N-cyclopropyl-N'-(3-nitro-4-pyridinyl)ethane-1,2-diamine?
N-cyclopropyl-N'-(3-nitro-4-pyridinyl)ethane-1,2-diamine has a molecular weight of 222.25 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(3-nitro-4-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 62663408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).