4-hydroxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzamide

C17H16N4O4 — CID 75504945

IUPAC4-hydroxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzamide
SMILESCc1cccn2cc(CCNC(=O)c3ccc(O)c([N+](=O)[O-])c3)nc12
InChIInChI=1S/C17H16N4O4/c1-11-3-2-8-20-10-13(19-16(11)20)6-7-18-17(23)12-4-5-15(22)14(9-12)21(24)25/h2-5,8-10,22H,6-7H2,1H3,(H,18,23)
InChIKeyQEECCOXYTOHEJG-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.23
Rot. Bonds5

About 4-hydroxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzamide

4-hydroxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzamide (PubChem CID 75504945) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 4-hydroxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzamide
PubChem CID75504945
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name4-hydroxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzamide
SMILESCc1cccn2cc(CCNC(=O)c3ccc(O)c([N+](=O)[O-])c3)nc12
InChIInChI=1S/C17H16N4O4/c1-11-3-2-8-20-10-13(19-16(11)20)6-7-18-17(23)12-4-5-15(22)14(9-12)21(24)25/h2-5,8-10,22H,6-7H2,1H3,(H,18,23)
InChIKeyQEECCOXYTOHEJG-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-(methylamino)-3-nitrobenzoate
CID 27187833
4-hydroxy-3-nitro-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 75452335
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-(benzylamino)-3-nitrobenzoate
CID 16960740
N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzenesulfonamide
CID 7150797
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-(azepan-1-yl)-3-nitrobenzoate
CID 16960694
4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(2-thiophen-2-ylethyl)benzamide
CID 16612941
N-[2-[(4-hydroxybenzoyl)amino]ethyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 138044528
2-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyrimidine-2,4-diamine
CID 133423053
N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline
CID 133423043
4-methyl-3-nitro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412921
4-methyl-3-nitro-N-propylbenzamide
CID 2057629
3-[2-[(4-hydroxy-3-nitrobenzoyl)amino]ethyldisulfanyl]propanoic acid
CID 166425203

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzamide?
The IUPAC name of 4-hydroxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzamide (CID 75504945) is 4-hydroxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzamide.
What is the SMILES notation for 4-hydroxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzamide?
The canonical SMILES for 4-hydroxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzamide is Cc1cccn2cc(CCNC(=O)c3ccc(O)c([N+](=O)[O-])c3)nc12.
What is the InChIKey of 4-hydroxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzamide?
The InChIKey is QEECCOXYTOHEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-11-3-2-8-20-10-13(19-16(11)20)6-7-18-17(23)12-4-5-15(22)14(9-12)21(24)25/h2-5,8-10,22H,6-7H2,1H3,(H,18,23).
What are the key properties of 4-hydroxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzamide?
4-hydroxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzamide has a molecular weight of 340.34 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzamide is sourced from PubChem (CID 75504945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).