N-[2-(2-methylphenyl)ethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine

C16H16N4O2 — CID 18095557

IUPACN-[2-(2-methylphenyl)ethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
SMILESCc1ccccc1CCNc1nc2ccccn2c1[N+](=O)[O-]
InChIInChI=1S/C16H16N4O2/c1-12-6-2-3-7-13(12)9-10-17-15-16(20(21)22)19-11-5-4-8-14(19)18-15/h2-8,11,17H,9-10H2,1H3
InChIKeyIQNASJKWHIQQTH-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.21
Rot. Bonds5

About N-[2-(2-methylphenyl)ethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine

N-[2-(2-methylphenyl)ethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine (PubChem CID 18095557) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
PubChem CID18095557
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-[2-(2-methylphenyl)ethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
SMILESCc1ccccc1CCNc1nc2ccccn2c1[N+](=O)[O-]
InChIInChI=1S/C16H16N4O2/c1-12-6-2-3-7-13(12)9-10-17-15-16(20(21)22)19-11-5-4-8-14(19)18-15/h2-8,11,17H,9-10H2,1H3
InChIKeyIQNASJKWHIQQTH-UHFFFAOYSA-N
XLogP3.21
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.21
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'}

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Related Compounds

4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol
CID 60567803
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 56790398
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095876
3-nitro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[1,2-a]pyridin-2-amine
CID 18095865
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095354
2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 18142997
3-methyl-N-[2-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 56571040
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 32877185
N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 55431762
3-amino-5-[5-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile
CID 18095349
N-[2-(2-methylphenyl)ethyl]-2-nitropyridin-3-amine
CID 115585466
N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095899

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine (CID 18095557) is N-[2-(2-methylphenyl)ethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine is Cc1ccccc1CCNc1nc2ccccn2c1[N+](=O)[O-].
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine?
The InChIKey is IQNASJKWHIQQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-12-6-2-3-7-13(12)9-10-17-15-16(20(21)22)19-11-5-4-8-14(19)18-15/h2-8,11,17H,9-10H2,1H3.
What are the key properties of N-[2-(2-methylphenyl)ethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine?
N-[2-(2-methylphenyl)ethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine has a molecular weight of 296.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 18095557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).