tert-butyl N-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]carbamate

C20H22N4O3 — CID 71280675

IUPACtert-butyl N-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]carbamate
SMILESCc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C20H22N4O3/c1-13-8-9-14(22-19(26)27-20(2,3)4)11-15(13)23-18(25)16-12-21-17-7-5-6-10-24(16)17/h5-12H,1-4H3,(H,22,26)(H,23,25)
InChIKeyBFLICUDRTXCYQW-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.24
Rot. Bonds3

About tert-butyl N-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]carbamate

tert-butyl N-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]carbamate (PubChem CID 71280675) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is tert-butyl N-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]carbamate
PubChem CID71280675
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Nametert-butyl N-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]carbamate
SMILESCc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C20H22N4O3/c1-13-8-9-14(22-19(26)27-20(2,3)4)11-15(13)23-18(25)16-12-21-17-7-5-6-10-24(16)17/h5-12H,1-4H3,(H,22,26)(H,23,25)
InChIKeyBFLICUDRTXCYQW-UHFFFAOYSA-N
XLogP4.24
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-5-(1-methylpyrazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171795473
N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 126470919
N-[5-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71291760
tert-butyl 3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-2,3-dihydro-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate
CID 71292649
tert-butyl (3S)-3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate
CID 71289319
N-[5-[[[3-[(dimethylamino)methyl]phenyl]carbamoylamino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 86764679
N-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71282403
aniline;N-[2-methyl-5-(2H-oxadiazet-4-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144545364
N-[5-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 176617365
N-[2-methyl-5-[(pyridine-3-carbonylamino)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 86763809
N-(2-chlorophenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 46882706
tert-butyl 3-[3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]sulfonylpyrrolidine-1-carboxylate
CID 71280695

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]carbamate?
The IUPAC name of tert-butyl N-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]carbamate (CID 71280675) is tert-butyl N-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]carbamate is Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1cnc2ccccn12.
What is the InChIKey of tert-butyl N-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]carbamate?
The InChIKey is BFLICUDRTXCYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13-8-9-14(22-19(26)27-20(2,3)4)11-15(13)23-18(25)16-12-21-17-7-5-6-10-24(16)17/h5-12H,1-4H3,(H,22,26)(H,23,25).
What are the key properties of tert-butyl N-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]carbamate?
tert-butyl N-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]carbamate has a molecular weight of 366.42 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]carbamate is sourced from PubChem (CID 71280675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).