methyl 4-chloro-3-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate

C17H14ClN3O3 — CID 110704696

IUPACmethyl 4-chloro-3-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2cccn3cc(C)nc23)c1
InChIInChI=1S/C17H14ClN3O3/c1-10-9-21-7-3-4-12(15(21)19-10)16(22)20-14-8-11(17(23)24-2)5-6-13(14)18/h3-9H,1-2H3,(H,20,22)
InChIKeyMBAKCLMRJTZFAQ-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.34
Rot. Bonds3

About methyl 4-chloro-3-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate

methyl 4-chloro-3-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate (PubChem CID 110704696) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is methyl 4-chloro-3-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate
PubChem CID110704696
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC Namemethyl 4-chloro-3-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2cccn3cc(C)nc23)c1
InChIInChI=1S/C17H14ClN3O3/c1-10-9-21-7-3-4-12(15(21)19-10)16(22)20-14-8-11(17(23)24-2)5-6-13(14)18/h3-9H,1-2H3,(H,20,22)
InChIKeyMBAKCLMRJTZFAQ-UHFFFAOYSA-N
XLogP3.34
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridine-8-carboxamide
CID 110704641
ethyl 2-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate
CID 110704737
methyl 4-chloro-3-[(2-methoxybenzoyl)amino]benzoate
CID 926199
methyl 4-chloro-3-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate
CID 110696223
N-(2-ethoxyphenyl)-2-methylimidazo[1,2-a]pyridine-8-carboxamide
CID 110704676
methyl 4-chloro-3-[(2-methyl-1H-benzimidazole-4-carbonyl)amino]benzoate
CID 110701109
2,6-dichloro-N-(2-methylimidazo[1,2-a]pyridin-8-yl)benzamide
CID 10591757
methyl 4-chloro-3-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 92679714
methyl 4-chloro-3-(1H-indole-7-carbonylamino)benzoate
CID 110861824
methyl 4-chloro-3-[(4-methylpyrimidine-5-carbonyl)amino]benzoate
CID 110861800
methyl 3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-chlorobenzoate
CID 62794444
methyl 3-[(3-amino-4-methylbenzoyl)amino]-4-chlorobenzoate
CID 28723647

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate (CID 110704696) is methyl 4-chloro-3-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)c2cccn3cc(C)nc23)c1.
What is the InChIKey of methyl 4-chloro-3-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate?
The InChIKey is MBAKCLMRJTZFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c1-10-9-21-7-3-4-12(15(21)19-10)16(22)20-14-8-11(17(23)24-2)5-6-13(14)18/h3-9H,1-2H3,(H,20,22).
What are the key properties of methyl 4-chloro-3-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate?
methyl 4-chloro-3-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate has a molecular weight of 343.77 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate is sourced from PubChem (CID 110704696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).