methyl 3-[(imidazo[1,2-a]pyridine-3-carbonylamino)methyl]-4-propylbenzoate

C20H21N3O3 — CID 162361898

IUPACmethyl 3-[(imidazo[1,2-a]pyridine-3-carbonylamino)methyl]-4-propylbenzoate
SMILESCCCc1ccc(C(=O)OC)cc1CNC(=O)c1cnc2ccccn12
InChIInChI=1S/C20H21N3O3/c1-3-6-14-8-9-15(20(25)26-2)11-16(14)12-22-19(24)17-13-21-18-7-4-5-10-23(17)18/h4-5,7-11,13H,3,6,12H2,1-2H3,(H,22,24)
InChIKeyKUCMLOYTZNJJDG-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.00
Rot. Bonds6

About methyl 3-[(imidazo[1,2-a]pyridine-3-carbonylamino)methyl]-4-propylbenzoate

methyl 3-[(imidazo[1,2-a]pyridine-3-carbonylamino)methyl]-4-propylbenzoate (PubChem CID 162361898) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is methyl 3-[(imidazo[1,2-a]pyridine-3-carbonylamino)methyl]-4-propylbenzoate.

Molecular Properties

Compound Namemethyl 3-[(imidazo[1,2-a]pyridine-3-carbonylamino)methyl]-4-propylbenzoate
PubChem CID162361898
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Namemethyl 3-[(imidazo[1,2-a]pyridine-3-carbonylamino)methyl]-4-propylbenzoate
SMILESCCCc1ccc(C(=O)OC)cc1CNC(=O)c1cnc2ccccn12
InChIInChI=1S/C20H21N3O3/c1-3-6-14-8-9-15(20(25)26-2)11-16(14)12-22-19(24)17-13-21-18-7-4-5-10-23(17)18/h4-5,7-11,13H,3,6,12H2,1-2H3,(H,22,24)
InChIKeyKUCMLOYTZNJJDG-UHFFFAOYSA-N
XLogP3.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[[3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-2-propylphenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 168846898
N-(2-methoxyethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 126473473
N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 126471977
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 146264079
N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 56718337
N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 126470919
N-[3-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-1-methylpyrazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 140616543
4-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16622345
dimethyl 2-propylbenzene-1,4-dicarboxylate
CID 161443646
methyl 4-[imidazo[1,2-a]pyridin-3-ylmethyl(phenyl)carbamoyl]benzoate
CID 90570118
N-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 67261310
N-[(5-bromo-2-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 46472876

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(imidazo[1,2-a]pyridine-3-carbonylamino)methyl]-4-propylbenzoate?
The IUPAC name of methyl 3-[(imidazo[1,2-a]pyridine-3-carbonylamino)methyl]-4-propylbenzoate (CID 162361898) is methyl 3-[(imidazo[1,2-a]pyridine-3-carbonylamino)methyl]-4-propylbenzoate.
What is the SMILES notation for methyl 3-[(imidazo[1,2-a]pyridine-3-carbonylamino)methyl]-4-propylbenzoate?
The canonical SMILES for methyl 3-[(imidazo[1,2-a]pyridine-3-carbonylamino)methyl]-4-propylbenzoate is CCCc1ccc(C(=O)OC)cc1CNC(=O)c1cnc2ccccn12.
What is the InChIKey of methyl 3-[(imidazo[1,2-a]pyridine-3-carbonylamino)methyl]-4-propylbenzoate?
The InChIKey is KUCMLOYTZNJJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-6-14-8-9-15(20(25)26-2)11-16(14)12-22-19(24)17-13-21-18-7-4-5-10-23(17)18/h4-5,7-11,13H,3,6,12H2,1-2H3,(H,22,24).
What are the key properties of methyl 3-[(imidazo[1,2-a]pyridine-3-carbonylamino)methyl]-4-propylbenzoate?
methyl 3-[(imidazo[1,2-a]pyridine-3-carbonylamino)methyl]-4-propylbenzoate has a molecular weight of 351.41 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(imidazo[1,2-a]pyridine-3-carbonylamino)methyl]-4-propylbenzoate is sourced from PubChem (CID 162361898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).