N-(2-imidazol-1-ylethyl)-6-methyl-3-nitropyridin-2-amine

C11H13N5O2 — CID 81138480

IUPACN-(2-imidazol-1-ylethyl)-6-methyl-3-nitropyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(NCCn2ccnc2)n1
InChIInChI=1S/C11H13N5O2/c1-9-2-3-10(16(17)18)11(14-9)13-5-7-15-6-4-12-8-15/h2-4,6,8H,5,7H2,1H3,(H,13,14)
InChIKeyUICTVEOIVMFDRO-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.61
Rot. Bonds5

About N-(2-imidazol-1-ylethyl)-6-methyl-3-nitropyridin-2-amine

N-(2-imidazol-1-ylethyl)-6-methyl-3-nitropyridin-2-amine (PubChem CID 81138480) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-6-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-6-methyl-3-nitropyridin-2-amine
PubChem CID81138480
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC NameN-(2-imidazol-1-ylethyl)-6-methyl-3-nitropyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(NCCn2ccnc2)n1
InChIInChI=1S/C11H13N5O2/c1-9-2-3-10(16(17)18)11(14-9)13-5-7-15-6-4-12-8-15/h2-4,6,8H,5,7H2,1H3,(H,13,14)
InChIKeyUICTVEOIVMFDRO-UHFFFAOYSA-N
XLogP1.61
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.61
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'}

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Related Compounds

2-N-(2-imidazol-1-ylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80808353
6-(2-imidazol-1-ylethylamino)-5-nitropyridine-2-carboxylic acid
CID 114403816
N-(2-imidazol-1-ylethyl)-3-methyl-4-nitroaniline
CID 60969123
N-(2-imidazol-1-ylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66280700
6-methyl-3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
CID 115714662
6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-nitropyridin-2-amine
CID 81138577
6-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-nitropyridin-2-amine
CID 81138648
4-fluoro-N-(2-imidazol-1-ylethyl)-5-methyl-2-nitroaniline
CID 103591574
2-chloro-N-(2-imidazol-1-ylethyl)-6-nitroaniline
CID 62084776
6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918195
6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
CID 81138941
N-[2-(3,5-difluorophenyl)ethyl]-6-methyl-3-nitropyridin-2-amine
CID 81139764

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-6-methyl-3-nitropyridin-2-amine?
The IUPAC name of N-(2-imidazol-1-ylethyl)-6-methyl-3-nitropyridin-2-amine (CID 81138480) is N-(2-imidazol-1-ylethyl)-6-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-6-methyl-3-nitropyridin-2-amine?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-6-methyl-3-nitropyridin-2-amine is Cc1ccc([N+](=O)[O-])c(NCCn2ccnc2)n1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-6-methyl-3-nitropyridin-2-amine?
The InChIKey is UICTVEOIVMFDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-9-2-3-10(16(17)18)11(14-9)13-5-7-15-6-4-12-8-15/h2-4,6,8H,5,7H2,1H3,(H,13,14).
What are the key properties of N-(2-imidazol-1-ylethyl)-6-methyl-3-nitropyridin-2-amine?
N-(2-imidazol-1-ylethyl)-6-methyl-3-nitropyridin-2-amine has a molecular weight of 247.26 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-6-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 81138480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).