N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,5-dinitrobenzamide

C21H15N5O5 — CID 121028685

IUPACN-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,5-dinitrobenzamide
SMILESCc1cccn2cc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)c3)nc12
InChIInChI=1S/C21H15N5O5/c1-13-4-3-7-24-12-19(23-20(13)24)14-5-2-6-16(8-14)22-21(27)15-9-17(25(28)29)11-18(10-15)26(30)31/h2-12H,1H3,(H,22,27)
InChIKeyGRFCWZYANBNHFV-UHFFFAOYSA-N
MW417.38 g/mol
LogP4.38
Rot. Bonds5

About N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,5-dinitrobenzamide

N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,5-dinitrobenzamide (PubChem CID 121028685) has the molecular formula C21H15N5O5 and a molecular weight of 417.38 g/mol. Its IUPAC name is N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,5-dinitrobenzamide.

Molecular Properties

Compound NameN-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,5-dinitrobenzamide
PubChem CID121028685
Molecular FormulaC21H15N5O5
Molecular Weight417.38 g/mol
Exact Mass417.11
IUPAC NameN-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,5-dinitrobenzamide
SMILESCc1cccn2cc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)c3)nc12
InChIInChI=1S/C21H15N5O5/c1-13-4-3-7-24-12-19(23-20(13)24)14-5-2-6-16(8-14)22-21(27)15-9-17(25(28)29)11-18(10-15)26(30)31/h2-12H,1H3,(H,22,27)
InChIKeyGRFCWZYANBNHFV-UHFFFAOYSA-N
XLogP4.38
TPSA132.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.38
LogP ≤ 54.38
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'}

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Related Compounds

3,4-dimethoxy-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121028699
N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclopropanecarboxamide
CID 122284189
N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 122284288
4-butoxy-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055736
2,4-dimethyl-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 121089998
3-(4-fluorophenoxy)-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 122284328
(E)-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-phenylprop-2-enamide
CID 121055726
3-(4-fluorophenyl)-1-methyl-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-5-carboxamide
CID 122284280
2-(1,3-dioxoisoindol-2-yl)-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 122284265
N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 122284247
2-[[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 5298505
1-(2-chloro-4-methylphenyl)-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 121090099

Frequently Asked Questions

What is the IUPAC name of N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,5-dinitrobenzamide?
The IUPAC name of N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,5-dinitrobenzamide (CID 121028685) is N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,5-dinitrobenzamide.
What is the SMILES notation for N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,5-dinitrobenzamide?
The canonical SMILES for N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,5-dinitrobenzamide is Cc1cccn2cc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)c3)nc12.
What is the InChIKey of N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,5-dinitrobenzamide?
The InChIKey is GRFCWZYANBNHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O5/c1-13-4-3-7-24-12-19(23-20(13)24)14-5-2-6-16(8-14)22-21(27)15-9-17(25(28)29)11-18(10-15)26(30)31/h2-12H,1H3,(H,22,27).
What are the key properties of N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,5-dinitrobenzamide?
N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,5-dinitrobenzamide has a molecular weight of 417.38 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,5-dinitrobenzamide is sourced from PubChem (CID 121028685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).