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'}

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Related Compounds

ethyl 4-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-4-oxobutanoate
CID 25140760
2-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 143657498
2-[8-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 90644973
2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 131993555
3-(chloromethyl)-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
CID 82029739
2-[6-chloro-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide
CID 24945186
ethyl 3-iodo-8-nitroimidazo[1,2-a]pyridine-2-carboxylate
CID 53249809
2-[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-N-ethyl-N-(pyridin-2-ylmethyl)acetamide;hydrochloride
CID 56591516
2-[[2-(2-nitrophenyl)acetyl]-propylamino]acetic acid
CID 61012209
2-[8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 28866412
N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylbutanamide
CID 135020833
2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide
CID 19898819

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).