N-methyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine

C9H12N4 — CID 63724851

IUPACN-methyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine
SMILESCNCc1nc2nccc(C)c2[nH]1
InChIInChI=1S/C9H12N4/c1-6-3-4-11-9-8(6)12-7(13-9)5-10-2/h3-4,10H,5H2,1-2H3,(H,11,12,13)
InChIKeyAKYKLUOTZVHNES-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.99
Rot. Bonds2

About N-methyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine

N-methyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine (PubChem CID 63724851) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is N-methyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine
PubChem CID63724851
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC NameN-methyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine
SMILESCNCc1nc2nccc(C)c2[nH]1
InChIInChI=1S/C9H12N4/c1-6-3-4-11-9-8(6)12-7(13-9)5-10-2/h3-4,10H,5H2,1-2H3,(H,11,12,13)
InChIKeyAKYKLUOTZVHNES-UHFFFAOYSA-N
XLogP0.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine?
The IUPAC name of N-methyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine (CID 63724851) is N-methyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine is CNCc1nc2nccc(C)c2[nH]1.
What is the InChIKey of N-methyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine?
The InChIKey is AKYKLUOTZVHNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-6-3-4-11-9-8(6)12-7(13-9)5-10-2/h3-4,10H,5H2,1-2H3,(H,11,12,13).
What are the key properties of N-methyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine?
N-methyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine has a molecular weight of 176.22 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine is sourced from PubChem (CID 63724851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).