N-(2-hydroxy-5-nitrophenyl)-2-propylimidazo[1,2-a]pyridine-3-carboxamide

C17H16N4O4 — CID 110660013

IUPACN-(2-hydroxy-5-nitrophenyl)-2-propylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCc1nc2ccccn2c1C(=O)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C17H16N4O4/c1-2-5-12-16(20-9-4-3-6-15(20)18-12)17(23)19-13-10-11(21(24)25)7-8-14(13)22/h3-4,6-10,22H,2,5H2,1H3,(H,19,23)
InChIKeyXWDKRVOCVMPNQF-UHFFFAOYSA-N
MW340.34 g/mol
LogP3.15
Rot. Bonds5

About N-(2-hydroxy-5-nitrophenyl)-2-propylimidazo[1,2-a]pyridine-3-carboxamide

N-(2-hydroxy-5-nitrophenyl)-2-propylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 110660013) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is N-(2-hydroxy-5-nitrophenyl)-2-propylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-nitrophenyl)-2-propylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID110660013
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC NameN-(2-hydroxy-5-nitrophenyl)-2-propylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCc1nc2ccccn2c1C(=O)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C17H16N4O4/c1-2-5-12-16(20-9-4-3-6-15(20)18-12)17(23)19-13-10-11(21(24)25)7-8-14(13)22/h3-4,6-10,22H,2,5H2,1H3,(H,19,23)
InChIKeyXWDKRVOCVMPNQF-UHFFFAOYSA-N
XLogP3.15
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-methoxy-4-[(2-propylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid
CID 110660004
N'-(3,5-dinitrobenzoyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 27699260
N-ethyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 789702
4-bromo-N-(2-hydroxy-5-nitrophenyl)-1-methylpyrazole-5-carboxamide
CID 19475244
N-(2-methyl-5-nitrophenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 171795486
2-amino-2-ethyl-N-(2-hydroxy-5-nitrophenyl)butanamide
CID 107744593
N-(2-hydroxy-5-nitrophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477769
N-(2-hydroxy-5-nitrophenyl)-2-iodo-3-methylbenzamide
CID 103894392
N-(2-hydroxy-5-nitrophenyl)-2-methylpyridine-3-carboxamide
CID 103863225
N-(2-hydroxy-5-nitrophenyl)-3-methylpyridine-2-carboxamide
CID 103894425
3-ethoxy-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 17342365
N-(2-hydroxy-5-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414727

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-nitrophenyl)-2-propylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-5-nitrophenyl)-2-propylimidazo[1,2-a]pyridine-3-carboxamide (CID 110660013) is N-(2-hydroxy-5-nitrophenyl)-2-propylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-nitrophenyl)-2-propylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-nitrophenyl)-2-propylimidazo[1,2-a]pyridine-3-carboxamide is CCCc1nc2ccccn2c1C(=O)Nc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of N-(2-hydroxy-5-nitrophenyl)-2-propylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is XWDKRVOCVMPNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-2-5-12-16(20-9-4-3-6-15(20)18-12)17(23)19-13-10-11(21(24)25)7-8-14(13)22/h3-4,6-10,22H,2,5H2,1H3,(H,19,23).
What are the key properties of N-(2-hydroxy-5-nitrophenyl)-2-propylimidazo[1,2-a]pyridine-3-carboxamide?
N-(2-hydroxy-5-nitrophenyl)-2-propylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 340.34 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-nitrophenyl)-2-propylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 110660013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).