2-[2-(4-chlorophenyl)-8-nitroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide

C21H23ClN4O3 — CID 10764308

IUPAC2-[2-(4-chlorophenyl)-8-nitroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c([N+](=O)[O-])cccn12
InChIInChI=1S/C21H23ClN4O3/c1-3-11-24(12-4-2)19(27)14-18-20(15-7-9-16(22)10-8-15)23-21-17(26(28)29)6-5-13-25(18)21/h5-10,13H,3-4,11-12,14H2,1-2H3
InChIKeyQEIAHRWZHCQAJM-UHFFFAOYSA-N
MW414.89 g/mol
LogP4.75
Rot. Bonds8

About 2-[2-(4-chlorophenyl)-8-nitroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide

2-[2-(4-chlorophenyl)-8-nitroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide (PubChem CID 10764308) has the molecular formula C21H23ClN4O3 and a molecular weight of 414.89 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-8-nitroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-8-nitroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
PubChem CID10764308
Molecular FormulaC21H23ClN4O3
Molecular Weight414.89 g/mol
Exact Mass414.15
IUPAC Name2-[2-(4-chlorophenyl)-8-nitroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c([N+](=O)[O-])cccn12
InChIInChI=1S/C21H23ClN4O3/c1-3-11-24(12-4-2)19(27)14-18-20(15-7-9-16(22)10-8-15)23-21-17(26(28)29)6-5-13-25(18)21/h5-10,13H,3-4,11-12,14H2,1-2H3
InChIKeyQEIAHRWZHCQAJM-UHFFFAOYSA-N
XLogP4.75
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 54.75
H-Bond Donors ≤ 50
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 2-[2-(4-chlorophenyl)-8-nitroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-8-nitroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-8-nitroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide (CID 10764308) is 2-[2-(4-chlorophenyl)-8-nitroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-8-nitroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-8-nitroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c([N+](=O)[O-])cccn12.
What is the InChIKey of 2-[2-(4-chlorophenyl)-8-nitroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide?
The InChIKey is QEIAHRWZHCQAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3/c1-3-11-24(12-4-2)19(27)14-18-20(15-7-9-16(22)10-8-15)23-21-17(26(28)29)6-5-13-25(18)21/h5-10,13H,3-4,11-12,14H2,1-2H3.
What are the key properties of 2-[2-(4-chlorophenyl)-8-nitroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide?
2-[2-(4-chlorophenyl)-8-nitroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide has a molecular weight of 414.89 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-8-nitroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 10764308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).