methyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3,6-dimethylphenyl]carbamate

C20H22N4O3 — CID 139767745

IUPACmethyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3,6-dimethylphenyl]carbamate
SMILESCOC(=O)Nc1c(C)ccc(C)c1CNc1cccn2c(C=O)c(C)nc12
InChIInChI=1S/C20H22N4O3/c1-12-7-8-13(2)18(23-20(26)27-4)15(12)10-21-16-6-5-9-24-17(11-25)14(3)22-19(16)24/h5-9,11,21H,10H2,1-4H3,(H,23,26)
InChIKeyBZYNGVBEOOWFTA-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.86
Rot. Bonds5

About methyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3,6-dimethylphenyl]carbamate

methyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3,6-dimethylphenyl]carbamate (PubChem CID 139767745) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is methyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3,6-dimethylphenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3,6-dimethylphenyl]carbamate
PubChem CID139767745
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Namemethyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3,6-dimethylphenyl]carbamate
SMILESCOC(=O)Nc1c(C)ccc(C)c1CNc1cccn2c(C=O)c(C)nc12
InChIInChI=1S/C20H22N4O3/c1-12-7-8-13(2)18(23-20(26)27-4)15(12)10-21-16-6-5-9-24-17(11-25)14(3)22-19(16)24/h5-9,11,21H,10H2,1-4H3,(H,23,26)
InChIKeyBZYNGVBEOOWFTA-UHFFFAOYSA-N
XLogP3.86
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-6-methylphenyl]carbamate
CID 139767757
methyl N-[3-fluoro-2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]phenyl]carbamate
CID 139767752
N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]acetamide
CID 139767770
methyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-4-methylphenyl]carbamate
CID 139767738
[(2S)-1-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylanilino]-1-oxopropan-2-yl] acetate
CID 139767773
2,8-dimethylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 2758567
[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl] methyl carbonate;hydrochloride
CID 22672630
2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylbenzamide
CID 70296765
2-methylsulfonylethyl N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate
CID 10906129
4-[[8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridin-2-yl]methoxy]-4-oxobutanoic acid
CID 22997460
ethyl 8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 22672581
N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]pyridine-3-carboxamide
CID 54464170

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3,6-dimethylphenyl]carbamate?
The IUPAC name of methyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3,6-dimethylphenyl]carbamate (CID 139767745) is methyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3,6-dimethylphenyl]carbamate.
What is the SMILES notation for methyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3,6-dimethylphenyl]carbamate?
The canonical SMILES for methyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3,6-dimethylphenyl]carbamate is COC(=O)Nc1c(C)ccc(C)c1CNc1cccn2c(C=O)c(C)nc12.
What is the InChIKey of methyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3,6-dimethylphenyl]carbamate?
The InChIKey is BZYNGVBEOOWFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-12-7-8-13(2)18(23-20(26)27-4)15(12)10-21-16-6-5-9-24-17(11-25)14(3)22-19(16)24/h5-9,11,21H,10H2,1-4H3,(H,23,26).
What are the key properties of methyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3,6-dimethylphenyl]carbamate?
methyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3,6-dimethylphenyl]carbamate has a molecular weight of 366.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3,6-dimethylphenyl]carbamate is sourced from PubChem (CID 139767745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).