4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-nitrobenzamide

C16H15N5O3 — CID 31257184

IUPAC4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-nitrobenzamide
SMILESNC(=O)c1ccc(NCCc2cn3ccccc3n2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H15N5O3/c17-16(22)11-4-5-13(14(9-11)21(23)24)18-7-6-12-10-20-8-2-1-3-15(20)19-12/h1-5,8-10,18H,6-7H2,(H2,17,22)
InChIKeyCWCVPMKOXRVYFM-UHFFFAOYSA-N
MW325.33 g/mol
LogP2.00
Rot. Bonds6

About 4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-nitrobenzamide

4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-nitrobenzamide (PubChem CID 31257184) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-nitrobenzamide.

Molecular Properties

Compound Name4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-nitrobenzamide
PubChem CID31257184
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-nitrobenzamide
SMILESNC(=O)c1ccc(NCCc2cn3ccccc3n2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H15N5O3/c17-16(22)11-4-5-13(14(9-11)21(23)24)18-7-6-12-10-20-8-2-1-3-15(20)19-12/h1-5,8-10,18H,6-7H2,(H2,17,22)
InChIKeyCWCVPMKOXRVYFM-UHFFFAOYSA-N
XLogP2.00
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-nitrobenzamide 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

4-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-nitro-N-propan-2-ylbenzamide
CID 17407046
4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-nitroaniline
CID 60631945
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-nitroaniline
CID 31257263
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-nitroaniline
CID 31257261
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-8-nitroquinolin-4-amine
CID 133436471
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-nitrophenyl)urea
CID 31686010
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-nitrobenzamide
CID 25429006
4-(2-aminoethylamino)-3-nitrobenzamide;hydrochloride
CID 155577579
4-(2-methoxyethylamino)-3-nitrobenzamide
CID 4883684
4-[2-(4-fluorophenyl)ethylamino]-3-nitrobenzamide
CID 9311170
3-nitro-4-[2-(1,3-thiazol-2-yl)ethylamino]benzamide
CID 62198427
4-(4-aminobutylamino)-3-nitrobenzamide
CID 60894350

Frequently Asked Questions

What is the IUPAC name of 4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-nitrobenzamide?
The IUPAC name of 4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-nitrobenzamide (CID 31257184) is 4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-nitrobenzamide.
What is the SMILES notation for 4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-nitrobenzamide?
The canonical SMILES for 4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-nitrobenzamide is NC(=O)c1ccc(NCCc2cn3ccccc3n2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-nitrobenzamide?
The InChIKey is CWCVPMKOXRVYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c17-16(22)11-4-5-13(14(9-11)21(23)24)18-7-6-12-10-20-8-2-1-3-15(20)19-12/h1-5,8-10,18H,6-7H2,(H2,17,22).
What are the key properties of 4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-nitrobenzamide?
4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-nitrobenzamide has a molecular weight of 325.33 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-nitrobenzamide is sourced from PubChem (CID 31257184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).