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

C14H21N5 — CID 79821117

IUPAC2-(1-aminocycloheptyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(C3(N)CCCCCC3)nc2n1
InChIInChI=1S/C14H21N5/c1-16-11-7-6-10-12(18-11)19-13(17-10)14(15)8-4-2-3-5-9-14/h6-7H,2-5,8-9,15H2,1H3,(H2,16,17,18,19)
InChIKeyGSBIAUDFKZPAQY-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.51
Rot. Bonds2

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

2-(1-aminocycloheptyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79821117) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-(1-aminocycloheptyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(1-aminocycloheptyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79821117
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2-(1-aminocycloheptyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(C3(N)CCCCCC3)nc2n1
InChIInChI=1S/C14H21N5/c1-16-11-7-6-10-12(18-11)19-13(17-10)14(15)8-4-2-3-5-9-14/h6-7H,2-5,8-9,15H2,1H3,(H2,16,17,18,19)
InChIKeyGSBIAUDFKZPAQY-UHFFFAOYSA-N
XLogP2.51
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocycloheptyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-(1-aminocycloheptyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (CID 79821117) is 2-(1-aminocycloheptyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-(1-aminocycloheptyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-(1-aminocycloheptyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is CNc1ccc2[nH]c(C3(N)CCCCCC3)nc2n1.
What is the InChIKey of 2-(1-aminocycloheptyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is GSBIAUDFKZPAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-16-11-7-6-10-12(18-11)19-13(17-10)14(15)8-4-2-3-5-9-14/h6-7H,2-5,8-9,15H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-(1-aminocycloheptyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
2-(1-aminocycloheptyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 259.36 g/mol, XLogP of 2.51, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocycloheptyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79821117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).