N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine

C17H18N4O2 — CID 18095899

IUPACN-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine
SMILESCC(C)C(Nc1nc2ccccn2c1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C17H18N4O2/c1-12(2)15(13-8-4-3-5-9-13)19-16-17(21(22)23)20-11-7-6-10-14(20)18-16/h3-12,15,19H,1-2H3
InChIKeyWTIYLALCTGNYOU-UHFFFAOYSA-N
MW310.36 g/mol
LogP4.05
Rot. Bonds5

About N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine

N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine (PubChem CID 18095899) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound NameN-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine
PubChem CID18095899
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine
SMILESCC(C)C(Nc1nc2ccccn2c1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C17H18N4O2/c1-12(2)15(13-8-4-3-5-9-13)19-16-17(21(22)23)20-11-7-6-10-14(20)18-16/h3-12,15,19H,1-2H3
InChIKeyWTIYLALCTGNYOU-UHFFFAOYSA-N
XLogP4.05
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 54.05
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'}

Analyze N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-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-[(1R)-2-methylsulfonyl-1-phenylethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 97064461
3-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridin-2-amine
CID 42886696
N-[1-(1-benzofuran-2-yl)ethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095701
N-(3,5-dimethoxyphenyl)-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095071
N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 24508583
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 56790398
N-[2-(2-methylphenyl)ethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095557
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095876
2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 18142997
2-(3-methylbutan-2-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61359128
2-[[(R)-cyclopropyl(phenyl)methyl]amino]-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 92845226
4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol
CID 60567803

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine?
The IUPAC name of N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine (CID 18095899) is N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine is CC(C)C(Nc1nc2ccccn2c1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine?
The InChIKey is WTIYLALCTGNYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12(2)15(13-8-4-3-5-9-13)19-16-17(21(22)23)20-11-7-6-10-14(20)18-16/h3-12,15,19H,1-2H3.
What are the key properties of N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine?
N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine has a molecular weight of 310.36 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 18095899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).