methyl N-[2-[[(6-acetamido-2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate

C23H25N5O3 — CID 14499850

IUPACmethyl N-[2-[[(6-acetamido-2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate
SMILESC#CCc1c(C)nc2c(NCc3c(C)cccc3NC(=O)OC)cc(NC(C)=O)cn12
InChIInChI=1S/C23H25N5O3/c1-6-8-21-15(3)25-22-20(11-17(13-28(21)22)26-16(4)29)24-12-18-14(2)9-7-10-19(18)27-23(30)31-5/h1,7,9-11,13,24H,8,12H2,2-5H3,(H,26,29)(H,27,30)
InChIKeyJBAOTOGOHWOACG-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.88
Rot. Bonds6

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

methyl N-[2-[[(6-acetamido-2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate (PubChem CID 14499850) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is methyl N-[2-[[(6-acetamido-2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[[(6-acetamido-2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate
PubChem CID14499850
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Namemethyl N-[2-[[(6-acetamido-2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate
SMILESC#CCc1c(C)nc2c(NCc3c(C)cccc3NC(=O)OC)cc(NC(C)=O)cn12
InChIInChI=1S/C23H25N5O3/c1-6-8-21-15(3)25-22-20(11-17(13-28(21)22)26-16(4)29)24-12-18-14(2)9-7-10-19(18)27-23(30)31-5/h1,7,9-11,13,24H,8,12H2,2-5H3,(H,26,29)(H,27,30)
InChIKeyJBAOTOGOHWOACG-UHFFFAOYSA-N
XLogP3.88
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]acetamide
CID 139767770
(2R)-N-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-2,6-dihydroxy-4,8,11-trioxo-3,9,10-trioxabicyclo[4.3.2]undecane-2-carboxamide
CID 178065941
[8-[(2-chloro-6-methylphenyl)methylamino]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]methanol
CID 22672586
N-[4-methyl-3-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]acetamide
CID 14368356
2-methylsulfonylethyl N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate
CID 10906129
methyl N-[3-fluoro-2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]phenyl]carbamate
CID 139767752
8-[(2,6-dimethylphenyl)methylamino]-N-ethoxy-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxamide
CID 150494948
6-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 24890698
1-[8-[(2,6-dimethylphenyl)methylamino]-3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-6-yl]-4-methylpyridin-2-one;hydrochloride
CID 24889517
[(2S)-1-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylanilino]-1-oxopropan-2-yl] acetate
CID 139767773
N-[(2,6-dimethylphenyl)methyl]-6-(2-methoxyphenyl)-2,3-dimethylimidazo[1,2-a]pyridin-8-amine;formaldehyde
CID 143295119
[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl] methyl carbonate;hydrochloride
CID 22672630

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[(6-acetamido-2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate?
The IUPAC name of methyl N-[2-[[(6-acetamido-2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate (CID 14499850) is methyl N-[2-[[(6-acetamido-2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate.
What is the SMILES notation for methyl N-[2-[[(6-acetamido-2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate?
The canonical SMILES for methyl N-[2-[[(6-acetamido-2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate is C#CCc1c(C)nc2c(NCc3c(C)cccc3NC(=O)OC)cc(NC(C)=O)cn12.
What is the InChIKey of methyl N-[2-[[(6-acetamido-2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate?
The InChIKey is JBAOTOGOHWOACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-6-8-21-15(3)25-22-20(11-17(13-28(21)22)26-16(4)29)24-12-18-14(2)9-7-10-19(18)27-23(30)31-5/h1,7,9-11,13,24H,8,12H2,2-5H3,(H,26,29)(H,27,30).
What are the key properties of methyl N-[2-[[(6-acetamido-2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate?
methyl N-[2-[[(6-acetamido-2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate has a molecular weight of 419.49 g/mol, XLogP of 3.88, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[[(6-acetamido-2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate is sourced from PubChem (CID 14499850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).