N,N-dimethyl-2-[2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine

C16H24N4O — CID 117164109

IUPACN,N-dimethyl-2-[2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
SMILESCN(C)CCn1c(CC2CCCOC2)nc2cccnc21
InChIInChI=1S/C16H24N4O/c1-19(2)8-9-20-15(11-13-5-4-10-21-12-13)18-14-6-3-7-17-16(14)20/h3,6-7,13H,4-5,8-12H2,1-2H3
InChIKeyJAQOGQVDWZYRCH-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.96
Rot. Bonds5

About N,N-dimethyl-2-[2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine

N,N-dimethyl-2-[2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine (PubChem CID 117164109) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
PubChem CID117164109
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN,N-dimethyl-2-[2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
SMILESCN(C)CCn1c(CC2CCCOC2)nc2cccnc21
InChIInChI=1S/C16H24N4O/c1-19(2)8-9-20-15(11-13-5-4-10-21-12-13)18-14-6-3-7-17-16(14)20/h3,6-7,13H,4-5,8-12H2,1-2H3
InChIKeyJAQOGQVDWZYRCH-UHFFFAOYSA-N
XLogP1.96
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164016
N,N-dimethyl-2-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117161453
2-(oxan-3-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163970
2-(oxan-3-ylmethyl)-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117164115
N,N-dimethyl-2-[2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117163560
2-[2-[(1-ethylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylethanamine
CID 117163842
3-cyclobutyl-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161425
3-[(2-fluorophenyl)methyl]-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161305
3-[2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117161472
2-[2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117163159
3-(oxan-2-ylmethyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161600
3-ethyl-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163742

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine (CID 117164109) is N,N-dimethyl-2-[2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine is CN(C)CCn1c(CC2CCCOC2)nc2cccnc21.
What is the InChIKey of N,N-dimethyl-2-[2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine?
The InChIKey is JAQOGQVDWZYRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-19(2)8-9-20-15(11-13-5-4-10-21-12-13)18-14-6-3-7-17-16(14)20/h3,6-7,13H,4-5,8-12H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine?
N,N-dimethyl-2-[2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine has a molecular weight of 288.39 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine is sourced from PubChem (CID 117164109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).