3-[6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine

C17H18N4O2 — CID 170878850

IUPAC3-[6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
SMILESCc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)c(CCCN)n2c1
InChIInChI=1S/C17H18N4O2/c1-12-4-9-16-19-17(15(3-2-10-18)20(16)11-12)13-5-7-14(8-6-13)21(22)23/h4-9,11H,2-3,10,18H2,1H3
InChIKeyNGUMSGWDEQKCNQ-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.11
Rot. Bonds5

About 3-[6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine

3-[6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine (PubChem CID 170878850) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-[6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
PubChem CID170878850
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name3-[6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
SMILESCc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)c(CCCN)n2c1
InChIInChI=1S/C17H18N4O2/c1-12-4-9-16-19-17(15(3-2-10-18)20(16)11-12)13-5-7-14(8-6-13)21(22)23/h4-9,11H,2-3,10,18H2,1H3
InChIKeyNGUMSGWDEQKCNQ-UHFFFAOYSA-N
XLogP3.11
TPSA86.46 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 ≤ 53.11
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

3-butyl-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 143046958
2-[4-(3-ethyl-6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanamine
CID 82025667
[6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 46220572
2-[2-(2-methoxy-5-methylphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]ethanamine
CID 28866512
N-methyl-1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 70326815
2-[8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 28866412
3-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
CID 170878846
N,N-dimethyl-3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 13267864
6-iodo-3-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
CID 67546543
[5-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199222
2-[2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanamine
CID 39134449
ethane;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 143742261

Frequently Asked Questions

What is the IUPAC name of 3-[6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine?
The IUPAC name of 3-[6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine (CID 170878850) is 3-[6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine.
What is the SMILES notation for 3-[6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine?
The canonical SMILES for 3-[6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine is Cc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)c(CCCN)n2c1.
What is the InChIKey of 3-[6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine?
The InChIKey is NGUMSGWDEQKCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12-4-9-16-19-17(15(3-2-10-18)20(16)11-12)13-5-7-14(8-6-13)21(22)23/h4-9,11H,2-3,10,18H2,1H3.
What are the key properties of 3-[6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine?
3-[6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine has a molecular weight of 310.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine is sourced from PubChem (CID 170878850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).