N-(2-nitro-4,5-dipropoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide

C20H22N4O5 — CID 56506850

IUPACN-(2-nitro-4,5-dipropoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCCOc1cc(NC(=O)c2ccc3nccn3c2)c([N+](=O)[O-])cc1OCCC
InChIInChI=1S/C20H22N4O5/c1-3-9-28-17-11-15(16(24(26)27)12-18(17)29-10-4-2)22-20(25)14-5-6-19-21-7-8-23(19)13-14/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,22,25)
InChIKeyUAODWDJBEVPPFB-UHFFFAOYSA-N
MW398.42 g/mol
LogP4.07
Rot. Bonds9

About N-(2-nitro-4,5-dipropoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide

N-(2-nitro-4,5-dipropoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 56506850) has the molecular formula C20H22N4O5 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-(2-nitro-4,5-dipropoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-nitro-4,5-dipropoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID56506850
Molecular FormulaC20H22N4O5
Molecular Weight398.42 g/mol
Exact Mass398.16
IUPAC NameN-(2-nitro-4,5-dipropoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCCOc1cc(NC(=O)c2ccc3nccn3c2)c([N+](=O)[O-])cc1OCCC
InChIInChI=1S/C20H22N4O5/c1-3-9-28-17-11-15(16(24(26)27)12-18(17)29-10-4-2)22-20(25)14-5-6-19-21-7-8-23(19)13-14/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,22,25)
InChIKeyUAODWDJBEVPPFB-UHFFFAOYSA-N
XLogP4.07
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.07
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

N-(2-nitro-4,5-dipropoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 134026408
2-nitro-N-(2-nitro-4,5-dipropoxyphenyl)benzamide
CID 55460788
4-methyl-N-(2-nitro-4,5-dipropoxyphenyl)-1,3-thiazole-5-carboxamide
CID 60531309
N-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110704035
4-methoxy-N-(2-nitro-4-propoxyphenyl)benzamide
CID 110492988
2-chloro-N-(2-nitro-4-propoxyphenyl)pyridine-4-carboxamide
CID 110493104
3-bromo-N-(2-methyl-3-nitrophenyl)-4-propoxybenzamide
CID 17342695
N-(4,5-diethoxy-2-nitrophenyl)-2,4-dimethylbenzamide
CID 86912988
2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-(2-nitro-4,5-dipropoxyphenyl)acetamide
CID 55607639
(E)-N-(2-nitro-4,5-dipropoxyphenyl)-3-thiophen-3-ylprop-2-enamide
CID 55461261
N-(4,5-diethoxy-2-nitrophenyl)butanamide
CID 86912973
N-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110704051

Frequently Asked Questions

What is the IUPAC name of N-(2-nitro-4,5-dipropoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-(2-nitro-4,5-dipropoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide (CID 56506850) is N-(2-nitro-4,5-dipropoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(2-nitro-4,5-dipropoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-(2-nitro-4,5-dipropoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide is CCCOc1cc(NC(=O)c2ccc3nccn3c2)c([N+](=O)[O-])cc1OCCC.
What is the InChIKey of N-(2-nitro-4,5-dipropoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is UAODWDJBEVPPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5/c1-3-9-28-17-11-15(16(24(26)27)12-18(17)29-10-4-2)22-20(25)14-5-6-19-21-7-8-23(19)13-14/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,22,25).
What are the key properties of N-(2-nitro-4,5-dipropoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide?
N-(2-nitro-4,5-dipropoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 398.42 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitro-4,5-dipropoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 56506850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).