N-[2-(1-methylimidazol-2-yl)ethyl]-3-nitropyridin-4-amine

C11H13N5O2 — CID 61211864

IUPACN-[2-(1-methylimidazol-2-yl)ethyl]-3-nitropyridin-4-amine
SMILESCn1ccnc1CCNc1ccncc1[N+](=O)[O-]
InChIInChI=1S/C11H13N5O2/c1-15-7-6-14-11(15)3-5-13-9-2-4-12-8-10(9)16(17)18/h2,4,6-8H,3,5H2,1H3,(H,12,13)
InChIKeyLESYORJQGURDEJ-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.38
Rot. Bonds5

About N-[2-(1-methylimidazol-2-yl)ethyl]-3-nitropyridin-4-amine

N-[2-(1-methylimidazol-2-yl)ethyl]-3-nitropyridin-4-amine (PubChem CID 61211864) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)ethyl]-3-nitropyridin-4-amine.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)ethyl]-3-nitropyridin-4-amine
PubChem CID61211864
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC NameN-[2-(1-methylimidazol-2-yl)ethyl]-3-nitropyridin-4-amine
SMILESCn1ccnc1CCNc1ccncc1[N+](=O)[O-]
InChIInChI=1S/C11H13N5O2/c1-15-7-6-14-11(15)3-5-13-9-2-4-12-8-10(9)16(17)18/h2,4,6-8H,3,5H2,1H3,(H,12,13)
InChIKeyLESYORJQGURDEJ-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
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

4-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]-2-nitroaniline
CID 61211671
3-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-nitroaniline
CID 80908222
2-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]-6-nitroaniline
CID 62084074
3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-4-amine
CID 54951342
3-nitro-N-[2-(triazol-1-yl)ethyl]pyridin-4-amine
CID 113375064
5-[2-(1-methylimidazol-2-yl)ethylamino]-2-nitrobenzonitrile
CID 115500211
N-(3-imidazol-1-ylpropyl)-3-nitropyridin-4-amine
CID 28994217
6-[2-(1-methylimidazol-2-yl)ethylamino]-5-nitropyridine-3-carboxylic acid
CID 81447901
N-[2-(1H-imidazol-5-yl)ethyl]-3-nitropyridin-4-amine
CID 65232136
N-[3-(4-methylpiperazin-1-yl)propyl]-3-nitropyridin-4-amine
CID 134098351
N-[2-(3-methylphenyl)ethyl]-3-nitropyridin-4-amine
CID 55062133
6-N-[2-(1-methylimidazol-2-yl)ethyl]isoquinoline-5,6-diamine
CID 106947957

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-3-nitropyridin-4-amine?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-3-nitropyridin-4-amine (CID 61211864) is N-[2-(1-methylimidazol-2-yl)ethyl]-3-nitropyridin-4-amine.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)ethyl]-3-nitropyridin-4-amine?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)ethyl]-3-nitropyridin-4-amine is Cn1ccnc1CCNc1ccncc1[N+](=O)[O-].
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)ethyl]-3-nitropyridin-4-amine?
The InChIKey is LESYORJQGURDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-15-7-6-14-11(15)3-5-13-9-2-4-12-8-10(9)16(17)18/h2,4,6-8H,3,5H2,1H3,(H,12,13).
What are the key properties of N-[2-(1-methylimidazol-2-yl)ethyl]-3-nitropyridin-4-amine?
N-[2-(1-methylimidazol-2-yl)ethyl]-3-nitropyridin-4-amine has a molecular weight of 247.26 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)ethyl]-3-nitropyridin-4-amine is sourced from PubChem (CID 61211864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).