methyl N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]carbamate

C18H19N3O2 — CID 91303771

IUPACmethyl N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]carbamate
SMILESCOC(=O)NC(c1c(C)cccc1C)c1cnc2ccccn12
InChIInChI=1S/C18H19N3O2/c1-12-7-6-8-13(2)16(12)17(20-18(22)23-3)14-11-19-15-9-4-5-10-21(14)15/h4-11,17H,1-3H3,(H,20,22)
InChIKeyQDYOIIOUVHPGTG-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.40
Rot. Bonds3

About methyl N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]carbamate

methyl N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]carbamate (PubChem CID 91303771) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]carbamate
PubChem CID91303771
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Namemethyl N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]carbamate
SMILESCOC(=O)NC(c1c(C)cccc1C)c1cnc2ccccn12
InChIInChI=1S/C18H19N3O2/c1-12-7-6-8-13(2)16(12)17(20-18(22)23-3)14-11-19-15-9-4-5-10-21(14)15/h4-11,17H,1-3H3,(H,20,22)
InChIKeyQDYOIIOUVHPGTG-UHFFFAOYSA-N
XLogP3.40
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-1,2,4-triazole-3-carboxylate
CID 123692271
methyl 2-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]-1,2,4-triazole-3-carboxylate
CID 123274888
(4-methoxyphenyl) N-[(2-chloro-6-methylphenyl)-imidazo[1,2-b]pyridazin-3-ylmethyl]carbamate
CID 90813310
1-imidazo[1,2-a]pyridin-3-yl-2-methoxyethanamine
CID 82029054
butyl N-[imidazo[1,2-b]pyridazin-3-yl-(2-methyl-6-phenylsulfanylphenyl)methyl]carbamate
CID 90763413
3-(1-imidazo[1,2-a]pyridin-3-yl-2-methylpropyl)imidazo[1,2-a]pyridine
CID 11818608
1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol
CID 58533033
3-[imidazo[1,2-a]pyridin-3-yl-(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine
CID 11382661
N-(2,6-dimethylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4575304
methyl 2-(imidazo[1,2-a]pyridin-3-ylmethylsulfanyl)propanoate
CID 86801501
methyl N-(2-methylimidazo[1,2-a]pyridin-3-yl)carbamate
CID 83832700
methyl (2R)-2-(imidazo[1,2-a]pyridin-3-ylmethylamino)propanoate
CID 99837979

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]carbamate?
The IUPAC name of methyl N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]carbamate (CID 91303771) is methyl N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]carbamate.
What is the SMILES notation for methyl N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]carbamate?
The canonical SMILES for methyl N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]carbamate is COC(=O)NC(c1c(C)cccc1C)c1cnc2ccccn12.
What is the InChIKey of methyl N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]carbamate?
The InChIKey is QDYOIIOUVHPGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-7-6-8-13(2)16(12)17(20-18(22)23-3)14-11-19-15-9-4-5-10-21(14)15/h4-11,17H,1-3H3,(H,20,22).
What are the key properties of methyl N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]carbamate?
methyl N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]carbamate has a molecular weight of 309.37 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]carbamate is sourced from PubChem (CID 91303771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).