methyl 8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridine-3-carboxylate

C15H19N3O4 — CID 91500464

IUPACmethyl 8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc2c(C)cc(NC(=O)OC(C)(C)C)cn12
InChIInChI=1S/C15H19N3O4/c1-9-6-10(17-14(20)22-15(2,3)4)8-18-11(13(19)21-5)7-16-12(9)18/h6-8H,1-5H3,(H,17,20)
InChIKeyNKADYNPRCBJLPZ-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.78
Rot. Bonds2

About methyl 8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridine-3-carboxylate

methyl 8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 91500464) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is methyl 8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID91500464
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Namemethyl 8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc2c(C)cc(NC(=O)OC(C)(C)C)cn12
InChIInChI=1S/C15H19N3O4/c1-9-6-10(17-14(20)22-15(2,3)4)8-18-11(13(19)21-5)7-16-12(9)18/h6-8H,1-5H3,(H,17,20)
InChIKeyNKADYNPRCBJLPZ-UHFFFAOYSA-N
XLogP2.78
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 142212585
methyl 1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]pyrazole-3-carboxylate
CID 57327718
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate
CID 102513755
tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
CID 58477930
tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
tert-butyl N-(4-formyl-3-methylphenyl)carbamate
CID 84797413
tert-butyl N-(1-ethylpyrazol-4-yl)carbamate
CID 65142970
tert-butyl N-(3-ethenyl-4-fluoro-5-methylphenyl)carbamate
CID 178053772
tert-butyl N-(1,3-dimethylindol-5-yl)carbamate
CID 90162227
CID 164562081
CID 164562081
tert-butyl N-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]carbamate
CID 71280675

Frequently Asked Questions

What is the IUPAC name of methyl 8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of methyl 8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridine-3-carboxylate (CID 91500464) is methyl 8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridine-3-carboxylate is COC(=O)c1cnc2c(C)cc(NC(=O)OC(C)(C)C)cn12.
What is the InChIKey of methyl 8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is NKADYNPRCBJLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-9-6-10(17-14(20)22-15(2,3)4)8-18-11(13(19)21-5)7-16-12(9)18/h6-8H,1-5H3,(H,17,20).
What are the key properties of methyl 8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridine-3-carboxylate?
methyl 8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 305.33 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 91500464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).