4-[[(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid

C18H16N4O3 — CID 75137265

IUPAC4-[[(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid
SMILESCc1ccc2nc(C)c(C(=O)NN=Cc3ccc(C(=O)O)cc3)n2c1
InChIInChI=1S/C18H16N4O3/c1-11-3-8-15-20-12(2)16(22(15)10-11)17(23)21-19-9-13-4-6-14(7-5-13)18(24)25/h3-10H,1-2H3,(H,21,23)(H,24,25)
InChIKeyXPGNMXRWINWUHK-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.41
Rot. Bonds4

About 4-[[(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid

4-[[(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid (PubChem CID 75137265) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 4-[[(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid
PubChem CID75137265
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name4-[[(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid
SMILESCc1ccc2nc(C)c(C(=O)NN=Cc3ccc(C(=O)O)cc3)n2c1
InChIInChI=1S/C18H16N4O3/c1-11-3-8-15-20-12(2)16(22(15)10-11)17(23)21-19-9-13-4-6-14(7-5-13)18(24)25/h3-10H,1-2H3,(H,21,23)(H,24,25)
InChIKeyXPGNMXRWINWUHK-UHFFFAOYSA-N
XLogP2.41
TPSA96.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(3-chlorophenyl)methylideneamino]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 5416113
6-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 5497455
6-bromo-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 171988440
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 126009877
N-[(4-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 75137621
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-6-chloro-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 126009610
6-bromo-2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
CID 126018157
(E)-1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-en-1-one
CID 171652295
6-bromo-N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 124539662
2-amino-1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 83832171
N-[(3-chlorophenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 78627381
4-[[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 3825243

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 4-[[(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid (CID 75137265) is 4-[[(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 4-[[(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 4-[[(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid is Cc1ccc2nc(C)c(C(=O)NN=Cc3ccc(C(=O)O)cc3)n2c1.
What is the InChIKey of 4-[[(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid?
The InChIKey is XPGNMXRWINWUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-11-3-8-15-20-12(2)16(22(15)10-11)17(23)21-19-9-13-4-6-14(7-5-13)18(24)25/h3-10H,1-2H3,(H,21,23)(H,24,25).
What are the key properties of 4-[[(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid?
4-[[(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid has a molecular weight of 336.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 75137265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).