2-(8-nitro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide

C21H24N4O3 — CID 11794170

IUPAC2-(8-nitro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccccc2)nc2c([N+](=O)[O-])cccn12
InChIInChI=1S/C21H24N4O3/c1-3-12-23(13-4-2)19(26)15-18-20(16-9-6-5-7-10-16)22-21-17(25(27)28)11-8-14-24(18)21/h5-11,14H,3-4,12-13,15H2,1-2H3
InChIKeyPYBLZEURYDVFMV-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.10
Rot. Bonds8

About 2-(8-nitro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide

2-(8-nitro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide (PubChem CID 11794170) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-(8-nitro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(8-nitro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide
PubChem CID11794170
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-(8-nitro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccccc2)nc2c([N+](=O)[O-])cccn12
InChIInChI=1S/C21H24N4O3/c1-3-12-23(13-4-2)19(26)15-18-20(16-9-6-5-7-10-16)22-21-17(25(27)28)11-8-14-24(18)21/h5-11,14H,3-4,12-13,15H2,1-2H3
InChIKeyPYBLZEURYDVFMV-UHFFFAOYSA-N
XLogP4.10
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.10
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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Frequently Asked Questions

What is the IUPAC name of 2-(8-nitro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide?
The IUPAC name of 2-(8-nitro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide (CID 11794170) is 2-(8-nitro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide.
What is the SMILES notation for 2-(8-nitro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide?
The canonical SMILES for 2-(8-nitro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cc1c(-c2ccccc2)nc2c([N+](=O)[O-])cccn12.
What is the InChIKey of 2-(8-nitro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide?
The InChIKey is PYBLZEURYDVFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-3-12-23(13-4-2)19(26)15-18-20(16-9-6-5-7-10-16)22-21-17(25(27)28)11-8-14-24(18)21/h5-11,14H,3-4,12-13,15H2,1-2H3.
What are the key properties of 2-(8-nitro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide?
2-(8-nitro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide has a molecular weight of 380.45 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-nitro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide is sourced from PubChem (CID 11794170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).