2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline

C20H25N5 — CID 18369600

IUPAC2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline
SMILESCN(CCN1CCCCC1)c1ccccc1-c1nc2ncccc2[nH]1
InChIInChI=1S/C20H25N5/c1-24(14-15-25-12-5-2-6-13-25)18-10-4-3-8-16(18)19-22-17-9-7-11-21-20(17)23-19/h3-4,7-11H,2,5-6,12-15H2,1H3,(H,21,22,23)
InChIKeyAMOHDDXGZPNKCZ-UHFFFAOYSA-N
MW335.46 g/mol
LogP3.55
Rot. Bonds5

About 2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline

2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline (PubChem CID 18369600) has the molecular formula C20H25N5 and a molecular weight of 335.46 g/mol. Its IUPAC name is 2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline.

Molecular Properties

Compound Name2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline
PubChem CID18369600
Molecular FormulaC20H25N5
Molecular Weight335.46 g/mol
Exact Mass335.21
IUPAC Name2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline
SMILESCN(CCN1CCCCC1)c1ccccc1-c1nc2ncccc2[nH]1
InChIInChI=1S/C20H25N5/c1-24(14-15-25-12-5-2-6-13-25)18-10-4-3-8-16(18)19-22-17-9-7-11-21-20(17)23-19/h3-4,7-11H,2,5-6,12-15H2,1H3,(H,21,22,23)
InChIKeyAMOHDDXGZPNKCZ-UHFFFAOYSA-N
XLogP3.55
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline?
The IUPAC name of 2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline (CID 18369600) is 2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline.
What is the SMILES notation for 2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline?
The canonical SMILES for 2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline is CN(CCN1CCCCC1)c1ccccc1-c1nc2ncccc2[nH]1.
What is the InChIKey of 2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline?
The InChIKey is AMOHDDXGZPNKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-24(14-15-25-12-5-2-6-13-25)18-10-4-3-8-16(18)19-22-17-9-7-11-21-20(17)23-19/h3-4,7-11H,2,5-6,12-15H2,1H3,(H,21,22,23).
What are the key properties of 2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline?
2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline has a molecular weight of 335.46 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline is sourced from PubChem (CID 18369600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).