N-(3-imidazol-1-ylpropyl)-4-methyl-5-nitropyridin-2-amine

C12H15N5O2 — CID 79173030

IUPACN-(3-imidazol-1-ylpropyl)-4-methyl-5-nitropyridin-2-amine
SMILESCc1cc(NCCCn2ccnc2)ncc1[N+](=O)[O-]
InChIInChI=1S/C12H15N5O2/c1-10-7-12(15-8-11(10)17(18)19)14-3-2-5-16-6-4-13-9-16/h4,6-9H,2-3,5H2,1H3,(H,14,15)
InChIKeyRPKXXONENKGBDN-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.00
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-4-methyl-5-nitropyridin-2-amine

N-(3-imidazol-1-ylpropyl)-4-methyl-5-nitropyridin-2-amine (PubChem CID 79173030) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-methyl-5-nitropyridin-2-amine
PubChem CID79173030
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-methyl-5-nitropyridin-2-amine
SMILESCc1cc(NCCCn2ccnc2)ncc1[N+](=O)[O-]
InChIInChI=1S/C12H15N5O2/c1-10-7-12(15-8-11(10)17(18)19)14-3-2-5-16-6-4-13-9-16/h4,6-9H,2-3,5H2,1H3,(H,14,15)
InChIKeyRPKXXONENKGBDN-UHFFFAOYSA-N
XLogP2.00
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)-4-methyl-5-nitropyridin-2-amine 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-[(2S)-3-imidazol-1-yl-2-methylpropyl]-4-methyl-5-nitropyridin-2-amine
CID 124505464
4-methyl-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine
CID 79173434
5-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 107302588
N-(2-imidazol-1-ylethyl)-3-methyl-4-nitroaniline
CID 60969123
N-(3-imidazol-1-ylpropyl)-3-nitropyridin-4-amine
CID 28994217
4-methyl-N-[3-(2-methylphenoxy)propyl]-5-nitropyridin-2-amine
CID 133329317
N-(3-imidazol-1-ylpropyl)-6-methylpyrimidin-4-amine
CID 61225498
N-(2-imidazol-1-ylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66280700
N-(3-imidazol-1-ylpropyl)-4-iodo-2-nitroaniline
CID 60979923
N-(3-imidazol-1-ylpropyl)-2,6-dinitro-4-(trifluoromethyl)aniline
CID 2804808
6-N-ethyl-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,6-diamine
CID 80753525
5-fluoro-N-(3-imidazol-1-ylpropyl)-4-iodo-2-nitroaniline
CID 66100623

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-4-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-methyl-5-nitropyridin-2-amine (CID 79173030) is N-(3-imidazol-1-ylpropyl)-4-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-methyl-5-nitropyridin-2-amine is Cc1cc(NCCCn2ccnc2)ncc1[N+](=O)[O-].
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-methyl-5-nitropyridin-2-amine?
The InChIKey is RPKXXONENKGBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-10-7-12(15-8-11(10)17(18)19)14-3-2-5-16-6-4-13-9-16/h4,6-9H,2-3,5H2,1H3,(H,14,15).
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-methyl-5-nitropyridin-2-amine?
N-(3-imidazol-1-ylpropyl)-4-methyl-5-nitropyridin-2-amine has a molecular weight of 261.29 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-4-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 79173030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).