N-(2-imidazol-1-ylethyl)-5-methyl-3-nitropyridin-2-amine

C11H13N5O2 — CID 66280700

IUPACN-(2-imidazol-1-ylethyl)-5-methyl-3-nitropyridin-2-amine
SMILESCc1cnc(NCCn2ccnc2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13N5O2/c1-9-6-10(16(17)18)11(14-7-9)13-3-5-15-4-2-12-8-15/h2,4,6-8H,3,5H2,1H3,(H,13,14)
InChIKeyUHKXUXSYFCXKNC-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.61
Rot. Bonds5

About N-(2-imidazol-1-ylethyl)-5-methyl-3-nitropyridin-2-amine

N-(2-imidazol-1-ylethyl)-5-methyl-3-nitropyridin-2-amine (PubChem CID 66280700) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-5-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-5-methyl-3-nitropyridin-2-amine
PubChem CID66280700
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC NameN-(2-imidazol-1-ylethyl)-5-methyl-3-nitropyridin-2-amine
SMILESCc1cnc(NCCn2ccnc2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13N5O2/c1-9-6-10(16(17)18)11(14-7-9)13-3-5-15-4-2-12-8-15/h2,4,6-8H,3,5H2,1H3,(H,13,14)
InChIKeyUHKXUXSYFCXKNC-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)-5-methylpyridine-2,3-diamine
CID 66280404
N-(2-imidazol-1-ylethyl)-3-methyl-4-nitroaniline
CID 60969123
1-[2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107498237
N-(2-imidazol-1-ylethyl)-6-methyl-3-nitropyridin-2-amine
CID 81138480
2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 65439508
4-fluoro-N-(2-imidazol-1-ylethyl)-5-methyl-2-nitroaniline
CID 103591574
2-N-(2-imidazol-1-ylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80808353
N-(3-imidazol-1-ylpropyl)-4-methyl-5-nitropyridin-2-amine
CID 79173030
5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3-nitropyridin-2-amine
CID 103883727
N-[2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethyl]acetamide
CID 66281352
4-[(5-methyl-3-nitro-2-pyridinyl)amino]butan-2-ol
CID 66281150
5-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridin-2-amine
CID 102913909

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-5-methyl-3-nitropyridin-2-amine?
The IUPAC name of N-(2-imidazol-1-ylethyl)-5-methyl-3-nitropyridin-2-amine (CID 66280700) is N-(2-imidazol-1-ylethyl)-5-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-5-methyl-3-nitropyridin-2-amine?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-5-methyl-3-nitropyridin-2-amine is Cc1cnc(NCCn2ccnc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-5-methyl-3-nitropyridin-2-amine?
The InChIKey is UHKXUXSYFCXKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-9-6-10(16(17)18)11(14-7-9)13-3-5-15-4-2-12-8-15/h2,4,6-8H,3,5H2,1H3,(H,13,14).
What are the key properties of N-(2-imidazol-1-ylethyl)-5-methyl-3-nitropyridin-2-amine?
N-(2-imidazol-1-ylethyl)-5-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)-5-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 66280700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).