N-(3-bromo-5-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethane-1,2-diamine

C11H15BrN4O2 — CID 116653369

IUPACN-(3-bromo-5-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethane-1,2-diamine
SMILESCN(c1ncc([N+](=O)[O-])cc1Br)C(CN)C1CC1
InChIInChI=1S/C11H15BrN4O2/c1-15(10(5-13)7-2-3-7)11-9(12)4-8(6-14-11)16(17)18/h4,6-7,10H,2-3,5,13H2,1H3
InChIKeyGTUDVXLDNXFKSW-UHFFFAOYSA-N
MW315.17 g/mol
LogP1.93
Rot. Bonds5

About N-(3-bromo-5-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethane-1,2-diamine

N-(3-bromo-5-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethane-1,2-diamine (PubChem CID 116653369) has the molecular formula C11H15BrN4O2 and a molecular weight of 315.17 g/mol. Its IUPAC name is N-(3-bromo-5-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-bromo-5-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethane-1,2-diamine
PubChem CID116653369
Molecular FormulaC11H15BrN4O2
Molecular Weight315.17 g/mol
Exact Mass314.04
IUPAC NameN-(3-bromo-5-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethane-1,2-diamine
SMILESCN(c1ncc([N+](=O)[O-])cc1Br)C(CN)C1CC1
InChIInChI=1S/C11H15BrN4O2/c1-15(10(5-13)7-2-3-7)11-9(12)4-8(6-14-11)16(17)18/h4,6-7,10H,2-3,5,13H2,1H3
InChIKeyGTUDVXLDNXFKSW-UHFFFAOYSA-N
XLogP1.93
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.93
H-Bond Donors ≤ 51
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'}

Analyze N-(3-bromo-5-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethane-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-[2-(aminomethyl)cyclopentyl]-3-bromo-N-methyl-5-nitropyridin-2-amine
CID 79524147
N-[(2-bromo-4-nitrophenyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116652387
1-cyclopropyl-N-methyl-N-(3-methyl-5-nitrophenyl)ethane-1,2-diamine
CID 116653317
1-cyclopropyl-N-(6-methoxy-5-nitropyrimidin-4-yl)-N-methylethane-1,2-diamine
CID 116653219
4-N-(3-bromo-5-nitro-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine
CID 79531137
1-cyclopropyl-N-methyl-N-(3-nitro-5-propoxyphenyl)ethane-1,2-diamine
CID 116653510
1-cyclopropyl-N-methyl-N-[1-(4-nitrophenyl)ethyl]ethane-1,2-diamine
CID 116651231
3-bromo-2-(2-chloro-2-cyclopropylethyl)-5-nitropyridine
CID 79524589
1-cyclopropyl-N-methyl-N-(6-nitro-1H-benzimidazol-2-yl)ethane-1,2-diamine
CID 116653414
3-bromo-N-ethyl-5-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 79719389
1-cyclopropyl-N-(3,5-difluoro-2-nitrophenyl)-N-methylethane-1,2-diamine
CID 116653377
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116653233

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethane-1,2-diamine?
The IUPAC name of N-(3-bromo-5-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethane-1,2-diamine (CID 116653369) is N-(3-bromo-5-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N-(3-bromo-5-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethane-1,2-diamine?
The canonical SMILES for N-(3-bromo-5-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethane-1,2-diamine is CN(c1ncc([N+](=O)[O-])cc1Br)C(CN)C1CC1.
What is the InChIKey of N-(3-bromo-5-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethane-1,2-diamine?
The InChIKey is GTUDVXLDNXFKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O2/c1-15(10(5-13)7-2-3-7)11-9(12)4-8(6-14-11)16(17)18/h4,6-7,10H,2-3,5,13H2,1H3.
What are the key properties of N-(3-bromo-5-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethane-1,2-diamine?
N-(3-bromo-5-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethane-1,2-diamine has a molecular weight of 315.17 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 116653369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).