N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;pyridin-2-ylmethanamine

C13H18N6O2 — CID 67561666

IUPACN'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;pyridin-2-ylmethanamine
SMILESNCCNc1ccc([N+](=O)[O-])cn1.NCc1ccccn1
InChIInChI=1S/C7H10N4O2.C6H8N2/c8-3-4-9-7-2-1-6(5-10-7)11(12)13;7-5-6-3-1-2-4-8-6/h1-2,5H,3-4,8H2,(H,9,10);1-4H,5,7H2
InChIKeyOWJLAVYIYGIOPA-UHFFFAOYSA-N
MW290.33 g/mol
LogP0.90
Rot. Bonds5

About N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;pyridin-2-ylmethanamine

N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;pyridin-2-ylmethanamine (PubChem CID 67561666) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;pyridin-2-ylmethanamine
PubChem CID67561666
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC NameN'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;pyridin-2-ylmethanamine
SMILESNCCNc1ccc([N+](=O)[O-])cn1.NCc1ccccn1
InChIInChI=1S/C7H10N4O2.C6H8N2/c8-3-4-9-7-2-1-6(5-10-7)11(12)13;7-5-6-3-1-2-4-8-6/h1-2,5H,3-4,8H2,(H,9,10);1-4H,5,7H2
InChIKeyOWJLAVYIYGIOPA-UHFFFAOYSA-N
XLogP0.90
TPSA132.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;hydrochloride
CID 141044426
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride
CID 141018206
N-(2-aminoethyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide
CID 39161951
N-[2-(2-fluorophenoxy)ethyl]-5-nitropyridin-2-amine
CID 16560906
N'-(5-nitro-2-pyridinyl)-1-phenylethane-1,2-diamine
CID 63120270
4-[(5-nitro-2-pyridinyl)amino]-2-phenylbutan-2-ol
CID 133495647
N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
CID 59380857
N-cyclopropyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 62663238
N-(2-naphthalen-2-yloxyethyl)-5-nitropyridin-2-amine
CID 26448348
5-nitro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridin-2-amine
CID 133398666
N-methyl-2-[(5-nitro-2-pyridinyl)amino]ethanesulfonamide
CID 102675378
2-[(5-nitro-2-pyridinyl)amino]acetic acid
CID 3798682

Frequently Asked Questions

What is the IUPAC name of N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;pyridin-2-ylmethanamine?
The IUPAC name of N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;pyridin-2-ylmethanamine (CID 67561666) is N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;pyridin-2-ylmethanamine.
What is the SMILES notation for N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;pyridin-2-ylmethanamine?
The canonical SMILES for N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;pyridin-2-ylmethanamine is NCCNc1ccc([N+](=O)[O-])cn1.NCc1ccccn1.
What is the InChIKey of N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;pyridin-2-ylmethanamine?
The InChIKey is OWJLAVYIYGIOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2.C6H8N2/c8-3-4-9-7-2-1-6(5-10-7)11(12)13;7-5-6-3-1-2-4-8-6/h1-2,5H,3-4,8H2,(H,9,10);1-4H,5,7H2.
What are the key properties of N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;pyridin-2-ylmethanamine?
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;pyridin-2-ylmethanamine has a molecular weight of 290.33 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;pyridin-2-ylmethanamine is sourced from PubChem (CID 67561666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).