N-ethyl-N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methoxyphenyl]methyl]ethanamine

C18H22N4O — CID 59785489

IUPACN-ethyl-N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methoxyphenyl]methyl]ethanamine
SMILESCCN(CC)Cc1cc(-c2nc3ncccc3[nH]2)ccc1OC
InChIInChI=1S/C18H22N4O/c1-4-22(5-2)12-14-11-13(8-9-16(14)23-3)17-20-15-7-6-10-19-18(15)21-17/h6-11H,4-5,12H2,1-3H3,(H,19,20,21)
InChIKeyGUFSRKXBSSWIPZ-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.48
Rot. Bonds6

About N-ethyl-N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methoxyphenyl]methyl]ethanamine

N-ethyl-N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methoxyphenyl]methyl]ethanamine (PubChem CID 59785489) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-ethyl-N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methoxyphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methoxyphenyl]methyl]ethanamine
PubChem CID59785489
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-ethyl-N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methoxyphenyl]methyl]ethanamine
SMILESCCN(CC)Cc1cc(-c2nc3ncccc3[nH]2)ccc1OC
InChIInChI=1S/C18H22N4O/c1-4-22(5-2)12-14-11-13(8-9-16(14)23-3)17-20-15-7-6-10-19-18(15)21-17/h6-11H,4-5,12H2,1-3H3,(H,19,20,21)
InChIKeyGUFSRKXBSSWIPZ-UHFFFAOYSA-N
XLogP3.48
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methoxyphenyl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methoxyphenyl]methyl]ethanamine (CID 59785489) is N-ethyl-N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methoxyphenyl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methoxyphenyl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methoxyphenyl]methyl]ethanamine is CCN(CC)Cc1cc(-c2nc3ncccc3[nH]2)ccc1OC.
What is the InChIKey of N-ethyl-N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methoxyphenyl]methyl]ethanamine?
The InChIKey is GUFSRKXBSSWIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-4-22(5-2)12-14-11-13(8-9-16(14)23-3)17-20-15-7-6-10-19-18(15)21-17/h6-11H,4-5,12H2,1-3H3,(H,19,20,21).
What are the key properties of N-ethyl-N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methoxyphenyl]methyl]ethanamine?
N-ethyl-N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methoxyphenyl]methyl]ethanamine has a molecular weight of 310.40 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methoxyphenyl]methyl]ethanamine is sourced from PubChem (CID 59785489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).