2-(2-adamantyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine

C17H22N4 — CID 81098854

IUPAC2-(2-adamantyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(C3C4CC5CC(C4)CC3C5)nc2n1
InChIInChI=1S/C17H22N4/c1-18-14-3-2-13-16(20-14)21-17(19-13)15-11-5-9-4-10(7-11)8-12(15)6-9/h2-3,9-12,15H,4-8H2,1H3,(H2,18,19,20,21)
InChIKeyVJCKSOAIYRTNAC-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.54
Rot. Bonds2

About 2-(2-adamantyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine

2-(2-adamantyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 81098854) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(2-adamantyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(2-adamantyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID81098854
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-(2-adamantyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(C3C4CC5CC(C4)CC3C5)nc2n1
InChIInChI=1S/C17H22N4/c1-18-14-3-2-13-16(20-14)21-17(19-13)15-11-5-9-4-10(7-11)8-12(15)6-9/h2-3,9-12,15H,4-8H2,1H3,(H2,18,19,20,21)
InChIKeyVJCKSOAIYRTNAC-UHFFFAOYSA-N
XLogP3.54
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-(2-adamantyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (CID 81098854) is 2-(2-adamantyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-(2-adamantyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-(2-adamantyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is CNc1ccc2[nH]c(C3C4CC5CC(C4)CC3C5)nc2n1.
What is the InChIKey of 2-(2-adamantyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is VJCKSOAIYRTNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-18-14-3-2-13-16(20-14)21-17(19-13)15-11-5-9-4-10(7-11)8-12(15)6-9/h2-3,9-12,15H,4-8H2,1H3,(H2,18,19,20,21).
What are the key properties of 2-(2-adamantyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
2-(2-adamantyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 282.39 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 81098854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).