tert-butyl N-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate

C13H18N4O2 — CID 22308635

IUPACtert-butyl N-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate
SMILESCc1ccc2[nH]c(CNC(=O)OC(C)(C)C)nc2n1
InChIInChI=1S/C13H18N4O2/c1-8-5-6-9-11(15-8)17-10(16-9)7-14-12(18)19-13(2,3)4/h5-6H,7H2,1-4H3,(H,14,18)(H,15,16,17)
InChIKeyLEBXSNVHFTVUQQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.29
Rot. Bonds2

About tert-butyl N-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate

tert-butyl N-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate (PubChem CID 22308635) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is tert-butyl N-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate
PubChem CID22308635
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Nametert-butyl N-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate
SMILESCc1ccc2[nH]c(CNC(=O)OC(C)(C)C)nc2n1
InChIInChI=1S/C13H18N4O2/c1-8-5-6-9-11(15-8)17-10(16-9)7-14-12(18)19-13(2,3)4/h5-6H,7H2,1-4H3,(H,14,18)(H,15,16,17)
InChIKeyLEBXSNVHFTVUQQ-UHFFFAOYSA-N
XLogP2.29
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]carbamate
CID 118996720
tert-butyl N-[(6-ethynyl-1H-benzimidazol-2-yl)methyl]carbamate
CID 88874328
methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-benzimidazole-4-carboxylate
CID 66850078
tert-butyl N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]carbamate
CID 57366772
tert-butyl N-[(6-cyano-1H-benzimidazol-2-yl)methyl]carbamate
CID 118213920
tert-butyl N-[(6-cyclopropyl-1H-benzimidazol-2-yl)methyl]carbamate
CID 144734219
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
CID 63788697
tert-butyl N-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-2-oxoethyl]carbamate
CID 101036428
tert-butyl N-[[5-chloro-4-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]methyl]carbamate
CID 59151723
tert-butyl N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]carbamate
CID 142258214
tert-butyl N-[[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]methyl]carbamate
CID 102970557
tert-butyl N-(1H-indazol-5-ylmethyl)carbamate
CID 59462463

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate (CID 22308635) is tert-butyl N-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate is Cc1ccc2[nH]c(CNC(=O)OC(C)(C)C)nc2n1.
What is the InChIKey of tert-butyl N-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate?
The InChIKey is LEBXSNVHFTVUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8-5-6-9-11(15-8)17-10(16-9)7-14-12(18)19-13(2,3)4/h5-6H,7H2,1-4H3,(H,14,18)(H,15,16,17).
What are the key properties of tert-butyl N-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate?
tert-butyl N-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate has a molecular weight of 262.31 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate is sourced from PubChem (CID 22308635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).