tert-butyl N-[2-[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]propyl]carbamate

C17H26N4O2 — CID 71852509

IUPACtert-butyl N-[2-[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)N(C)Cc1cnc2ccccn12
InChIInChI=1S/C17H26N4O2/c1-13(10-19-16(22)23-17(2,3)4)20(5)12-14-11-18-15-8-6-7-9-21(14)15/h6-9,11,13H,10,12H2,1-5H3,(H,19,22)
InChIKeyLVIDVILDFMXVIG-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.68
Rot. Bonds5

About tert-butyl N-[2-[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]propyl]carbamate

tert-butyl N-[2-[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]propyl]carbamate (PubChem CID 71852509) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is tert-butyl N-[2-[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]propyl]carbamate
PubChem CID71852509
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Nametert-butyl N-[2-[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)N(C)Cc1cnc2ccccn12
InChIInChI=1S/C17H26N4O2/c1-13(10-19-16(22)23-17(2,3)4)20(5)12-14-11-18-15-8-6-7-9-21(14)15/h6-9,11,13H,10,12H2,1-5H3,(H,19,22)
InChIKeyLVIDVILDFMXVIG-UHFFFAOYSA-N
XLogP2.68
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[imidazo[1,2-a]pyridin-3-ylmethyl(phenyl)carbamoyl]benzoate
CID 90570118
1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(2-methoxyethyl)-1-phenylurea
CID 90570353
methyl (2R)-2-(imidazo[1,2-a]pyridin-3-ylmethylamino)propanoate
CID 99837979
3-benzhydryl-1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea
CID 71802045
1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-prop-2-enylurea
CID 90570703
methyl 2-(imidazo[1,2-a]pyridin-3-ylmethylsulfanyl)propanoate
CID 86801501
tert-butyl N-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
CID 175381261
tert-butyl N-[4-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]-4-oxobutyl]carbamate
CID 60613145
(2R)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenoxy-N-phenylpropanamide
CID 97416750
N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-propan-2-yloxybenzamide
CID 90569861
1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-[(4-methoxyphenyl)methyl]urea
CID 71802043
5-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methylpyrimidin-2-amine
CID 72874865

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]propyl]carbamate (CID 71852509) is tert-butyl N-[2-[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]propyl]carbamate is CC(CNC(=O)OC(C)(C)C)N(C)Cc1cnc2ccccn12.
What is the InChIKey of tert-butyl N-[2-[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]propyl]carbamate?
The InChIKey is LVIDVILDFMXVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13(10-19-16(22)23-17(2,3)4)20(5)12-14-11-18-15-8-6-7-9-21(14)15/h6-9,11,13H,10,12H2,1-5H3,(H,19,22).
What are the key properties of tert-butyl N-[2-[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]propyl]carbamate?
tert-butyl N-[2-[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]propyl]carbamate has a molecular weight of 318.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]propyl]carbamate is sourced from PubChem (CID 71852509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).