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

C19H20N4O3 — CID 139767757

IUPACmethyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-6-methylphenyl]carbamate
SMILESCOC(=O)Nc1c(C)cccc1CNc1cccn2c(C=O)c(C)nc12
InChIInChI=1S/C19H20N4O3/c1-12-6-4-7-14(17(12)22-19(25)26-3)10-20-15-8-5-9-23-16(11-24)13(2)21-18(15)23/h4-9,11,20H,10H2,1-3H3,(H,22,25)
InChIKeyMOHLHJDRVVKUQW-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.55
Rot. Bonds5

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

methyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-6-methylphenyl]carbamate (PubChem CID 139767757) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is methyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-6-methylphenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-6-methylphenyl]carbamate
PubChem CID139767757
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Namemethyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-6-methylphenyl]carbamate
SMILESCOC(=O)Nc1c(C)cccc1CNc1cccn2c(C=O)c(C)nc12
InChIInChI=1S/C19H20N4O3/c1-12-6-4-7-14(17(12)22-19(25)26-3)10-20-15-8-5-9-23-16(11-24)13(2)21-18(15)23/h4-9,11,20H,10H2,1-3H3,(H,22,25)
InChIKeyMOHLHJDRVVKUQW-UHFFFAOYSA-N
XLogP3.55
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.55
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]-3,6-dimethylphenyl]carbamate
CID 139767745
methyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-4-methylphenyl]carbamate
CID 139767738
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
[(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-(methoxycarbonylamino)-3-methylphenyl]carbamic acid
CID 175129828
2,7-dimethylimidazo[2,1-a]isoquinoline-3-carbaldehyde
CID 115034432
2-methylsulfonylethyl N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate
CID 10906129
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]-6-methylphenyl]carbamate?
The IUPAC name of methyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-6-methylphenyl]carbamate (CID 139767757) is methyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-6-methylphenyl]carbamate.
What is the SMILES notation for methyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-6-methylphenyl]carbamate?
The canonical SMILES for methyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-6-methylphenyl]carbamate is COC(=O)Nc1c(C)cccc1CNc1cccn2c(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]-6-methylphenyl]carbamate?
The InChIKey is MOHLHJDRVVKUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12-6-4-7-14(17(12)22-19(25)26-3)10-20-15-8-5-9-23-16(11-24)13(2)21-18(15)23/h4-9,11,20H,10H2,1-3H3,(H,22,25).
What are the key properties of methyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-6-methylphenyl]carbamate?
methyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-6-methylphenyl]carbamate has a molecular weight of 352.39 g/mol, XLogP of 3.55, 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]-6-methylphenyl]carbamate is sourced from PubChem (CID 139767757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).