N'-cyclopropyl-N'-ethyl-N-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine

C13H20N4O3 — CID 103739551

IUPACN'-cyclopropyl-N'-ethyl-N-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESCCN(CCNc1nc(OC)ccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C13H20N4O3/c1-3-16(10-4-5-10)9-8-14-13-11(17(18)19)6-7-12(15-13)20-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,14,15)
InChIKeyZKSKXDFBCWHUDB-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.89
Rot. Bonds8

About N'-cyclopropyl-N'-ethyl-N-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine

N'-cyclopropyl-N'-ethyl-N-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine (PubChem CID 103739551) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N'-cyclopropyl-N'-ethyl-N-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-ethyl-N-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine
PubChem CID103739551
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN'-cyclopropyl-N'-ethyl-N-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESCCN(CCNc1nc(OC)ccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C13H20N4O3/c1-3-16(10-4-5-10)9-8-14-13-11(17(18)19)6-7-12(15-13)20-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,14,15)
InChIKeyZKSKXDFBCWHUDB-UHFFFAOYSA-N
XLogP1.89
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-cyclopropyl-N'-ethyl-N-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis(6-methoxy-3-nitro-2-pyridinyl)heptane-1,7-diamine
CID 110172492
N-(6-methoxy-3-nitro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 70453186
6-[2-[cyclopropyl(ethyl)amino]ethylamino]-3-nitropyridine-2-carbonitrile
CID 103578006
N-cyclopropyl-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide
CID 115321580
6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine
CID 113286768
1-[(6-methoxy-3-nitro-2-pyridinyl)amino]pentan-3-ol
CID 115702124
6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918200
N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide
CID 22141713
3-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83114496
3-[(6-methoxy-3-nitro-2-pyridinyl)amino]-N-methylpropanamide
CID 113286774
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide
CID 113286764
N-[(4-ethylphenyl)methyl]-6-methoxy-3-nitropyridin-2-amine
CID 106900082

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-ethyl-N-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-ethyl-N-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine (CID 103739551) is N'-cyclopropyl-N'-ethyl-N-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-ethyl-N-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-ethyl-N-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine is CCN(CCNc1nc(OC)ccc1[N+](=O)[O-])C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-ethyl-N-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is ZKSKXDFBCWHUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-3-16(10-4-5-10)9-8-14-13-11(17(18)19)6-7-12(15-13)20-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,14,15).
What are the key properties of N'-cyclopropyl-N'-ethyl-N-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine?
N'-cyclopropyl-N'-ethyl-N-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 280.33 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-ethyl-N-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 103739551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).