N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,4-dinitroaniline

C15H13N5O4 — CID 133296622

IUPACN-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,4-dinitroaniline
SMILESCc1cccc2nc(CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cn12
InChIInChI=1S/C15H13N5O4/c1-10-3-2-4-15-17-11(9-18(10)15)8-16-13-6-5-12(19(21)22)7-14(13)20(23)24/h2-7,9,16H,8H2,1H3
InChIKeyKFYZAKPUOAVXQZ-UHFFFAOYSA-N
MW327.30 g/mol
LogP3.07
Rot. Bonds5

About N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,4-dinitroaniline

N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,4-dinitroaniline (PubChem CID 133296622) has the molecular formula C15H13N5O4 and a molecular weight of 327.30 g/mol. Its IUPAC name is N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,4-dinitroaniline.

Molecular Properties

Compound NameN-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,4-dinitroaniline
PubChem CID133296622
Molecular FormulaC15H13N5O4
Molecular Weight327.30 g/mol
Exact Mass327.10
IUPAC NameN-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,4-dinitroaniline
SMILESCc1cccc2nc(CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cn12
InChIInChI=1S/C15H13N5O4/c1-10-3-2-4-15-17-11(9-18(10)15)8-16-13-6-5-12(19(21)22)7-14(13)20(23)24/h2-7,9,16H,8H2,1H3
InChIKeyKFYZAKPUOAVXQZ-UHFFFAOYSA-N
XLogP3.07
TPSA115.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,4-dinitroaniline 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

2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]-5-nitropyridine-3-carboxamide
CID 133296638
3-cyano-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]benzenesulfonamide
CID 133321609
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dinitroaniline
CID 47230333
5-chloro-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide
CID 56804285
2,4-dinitro-N-(pyridin-2-ylmethyl)aniline
CID 3442927
2-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-nitroaniline
CID 36783664
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2,4-dinitroaniline
CID 133367353
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2,4-dinitroaniline
CID 133333447
4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-nitroaniline
CID 60631945
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,4-dinitroaniline
CID 103623972
1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-nitropyridin-4-one
CID 71970710
2,4-dinitro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 49430909

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,4-dinitroaniline?
The IUPAC name of N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,4-dinitroaniline (CID 133296622) is N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,4-dinitroaniline.
What is the SMILES notation for N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,4-dinitroaniline?
The canonical SMILES for N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,4-dinitroaniline is Cc1cccc2nc(CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cn12.
What is the InChIKey of N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,4-dinitroaniline?
The InChIKey is KFYZAKPUOAVXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O4/c1-10-3-2-4-15-17-11(9-18(10)15)8-16-13-6-5-12(19(21)22)7-14(13)20(23)24/h2-7,9,16H,8H2,1H3.
What are the key properties of N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,4-dinitroaniline?
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,4-dinitroaniline has a molecular weight of 327.30 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,4-dinitroaniline is sourced from PubChem (CID 133296622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).