1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-c]pyridin-4-amine

C16H23N5 — CID 103385674

IUPAC1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-c]pyridin-4-amine
SMILESCN1C2CCCC1CC(Nc1nccc3c1ncn3C)C2
InChIInChI=1S/C16H23N5/c1-20-10-18-15-14(20)6-7-17-16(15)19-11-8-12-4-3-5-13(9-11)21(12)2/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,17,19)
InChIKeyQQAUUWWNNPQHQL-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.40
Rot. Bonds2

About 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-c]pyridin-4-amine

1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-c]pyridin-4-amine (PubChem CID 103385674) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-c]pyridin-4-amine
PubChem CID103385674
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-c]pyridin-4-amine
SMILESCN1C2CCCC1CC(Nc1nccc3c1ncn3C)C2
InChIInChI=1S/C16H23N5/c1-20-10-18-15-14(20)6-7-17-16(15)19-11-8-12-4-3-5-13(9-11)21(12)2/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,17,19)
InChIKeyQQAUUWWNNPQHQL-UHFFFAOYSA-N
XLogP2.40
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-c]pyridin-4-amine (CID 103385674) is 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-c]pyridin-4-amine is CN1C2CCCC1CC(Nc1nccc3c1ncn3C)C2.
What is the InChIKey of 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-c]pyridin-4-amine?
The InChIKey is QQAUUWWNNPQHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-20-10-18-15-14(20)6-7-17-16(15)19-11-8-12-4-3-5-13(9-11)21(12)2/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,17,19).
What are the key properties of 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-c]pyridin-4-amine?
1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-c]pyridin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 103385674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).