N-(pyridin-3-ylmethyl)-1H-imidazo[4,5-b]pyridin-6-amine

C12H11N5 — CID 139441137

IUPACN-(pyridin-3-ylmethyl)-1H-imidazo[4,5-b]pyridin-6-amine
SMILESc1cncc(CNc2cnc3nc[nH]c3c2)c1
InChIInChI=1S/C12H11N5/c1-2-9(5-13-3-1)6-14-10-4-11-12(15-7-10)17-8-16-11/h1-5,7-8,14H,6H2,(H,15,16,17)
InChIKeyRNYXITJWMLLFBV-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.97
Rot. Bonds3

About N-(pyridin-3-ylmethyl)-1H-imidazo[4,5-b]pyridin-6-amine

N-(pyridin-3-ylmethyl)-1H-imidazo[4,5-b]pyridin-6-amine (PubChem CID 139441137) has the molecular formula C12H11N5 and a molecular weight of 225.26 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-1H-imidazo[4,5-b]pyridin-6-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-1H-imidazo[4,5-b]pyridin-6-amine
PubChem CID139441137
Molecular FormulaC12H11N5
Molecular Weight225.26 g/mol
Exact Mass225.10
IUPAC NameN-(pyridin-3-ylmethyl)-1H-imidazo[4,5-b]pyridin-6-amine
SMILESc1cncc(CNc2cnc3nc[nH]c3c2)c1
InChIInChI=1S/C12H11N5/c1-2-9(5-13-3-1)6-14-10-4-11-12(15-7-10)17-8-16-11/h1-5,7-8,14H,6H2,(H,15,16,17)
InChIKeyRNYXITJWMLLFBV-UHFFFAOYSA-N
XLogP1.97
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-1H-imidazo[4,5-b]pyridin-6-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)-1H-imidazo[4,5-b]pyridin-6-amine (CID 139441137) is N-(pyridin-3-ylmethyl)-1H-imidazo[4,5-b]pyridin-6-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-1H-imidazo[4,5-b]pyridin-6-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)-1H-imidazo[4,5-b]pyridin-6-amine is c1cncc(CNc2cnc3nc[nH]c3c2)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-1H-imidazo[4,5-b]pyridin-6-amine?
The InChIKey is RNYXITJWMLLFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-2-9(5-13-3-1)6-14-10-4-11-12(15-7-10)17-8-16-11/h1-5,7-8,14H,6H2,(H,15,16,17).
What are the key properties of N-(pyridin-3-ylmethyl)-1H-imidazo[4,5-b]pyridin-6-amine?
N-(pyridin-3-ylmethyl)-1H-imidazo[4,5-b]pyridin-6-amine has a molecular weight of 225.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-1H-imidazo[4,5-b]pyridin-6-amine is sourced from PubChem (CID 139441137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).