methyl 6-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)pyridine-3-carboxylate

C17H16N4O3 — CID 32938785

IUPACmethyl 6-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NCCc2cn3ccccc3n2)nc1
InChIInChI=1S/C17H16N4O3/c1-24-17(23)12-5-6-14(19-10-12)16(22)18-8-7-13-11-21-9-3-2-4-15(21)20-13/h2-6,9-11H,7-8H2,1H3,(H,18,22)
InChIKeyQQVKXMPTWSMJSM-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.49
Rot. Bonds5

About methyl 6-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)pyridine-3-carboxylate

methyl 6-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)pyridine-3-carboxylate (PubChem CID 32938785) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is methyl 6-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)pyridine-3-carboxylate
PubChem CID32938785
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Namemethyl 6-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NCCc2cn3ccccc3n2)nc1
InChIInChI=1S/C17H16N4O3/c1-24-17(23)12-5-6-14(19-10-12)16(22)18-8-7-13-11-21-9-3-2-4-15(21)20-13/h2-6,9-11H,7-8H2,1H3,(H,18,22)
InChIKeyQQVKXMPTWSMJSM-UHFFFAOYSA-N
XLogP1.49
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25429154
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3,5-dimethoxybenzamide
CID 41463533
4-fluoro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25429046
4-ethoxy-N-[2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-2-oxoethyl]benzamide
CID 25429958
N-(2-methoxyethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 51253266
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methylthiophene-2-carboxamide
CID 31008232
1-benzyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)triazole-4-carboxamide
CID 37089479
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiophene-3-carboxamide
CID 32834557
2-benzoyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25430937
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 39191791
methyl 6-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]pyridine-3-carboxylate
CID 32657840
5-fluoro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methoxybenzamide
CID 32837177

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)pyridine-3-carboxylate (CID 32938785) is methyl 6-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)NCCc2cn3ccccc3n2)nc1.
What is the InChIKey of methyl 6-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)pyridine-3-carboxylate?
The InChIKey is QQVKXMPTWSMJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-24-17(23)12-5-6-14(19-10-12)16(22)18-8-7-13-11-21-9-3-2-4-15(21)20-13/h2-6,9-11H,7-8H2,1H3,(H,18,22).
What are the key properties of methyl 6-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)pyridine-3-carboxylate?
methyl 6-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)pyridine-3-carboxylate has a molecular weight of 324.34 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)pyridine-3-carboxylate is sourced from PubChem (CID 32938785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).