N-(1H-indol-4-ylmethyl)-3-pyrazin-2-yloxyaniline

C19H16N4O — CID 71913694

IUPACN-(1H-indol-4-ylmethyl)-3-pyrazin-2-yloxyaniline
SMILESc1cc(NCc2cccc3[nH]ccc23)cc(Oc2cnccn2)c1
InChIInChI=1S/C19H16N4O/c1-3-14(17-7-8-21-18(17)6-1)12-23-15-4-2-5-16(11-15)24-19-13-20-9-10-22-19/h1-11,13,21,23H,12H2
InChIKeyQXFGTEPJYSFMBO-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.36
Rot. Bonds5

About N-(1H-indol-4-ylmethyl)-3-pyrazin-2-yloxyaniline

N-(1H-indol-4-ylmethyl)-3-pyrazin-2-yloxyaniline (PubChem CID 71913694) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(1H-indol-4-ylmethyl)-3-pyrazin-2-yloxyaniline.

Molecular Properties

Compound NameN-(1H-indol-4-ylmethyl)-3-pyrazin-2-yloxyaniline
PubChem CID71913694
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC NameN-(1H-indol-4-ylmethyl)-3-pyrazin-2-yloxyaniline
SMILESc1cc(NCc2cccc3[nH]ccc23)cc(Oc2cnccn2)c1
InChIInChI=1S/C19H16N4O/c1-3-14(17-7-8-21-18(17)6-1)12-23-15-4-2-5-16(11-15)24-19-13-20-9-10-22-19/h1-11,13,21,23H,12H2
InChIKeyQXFGTEPJYSFMBO-UHFFFAOYSA-N
XLogP4.36
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-pyrazin-2-yloxy-1H-indole
CID 118649509
4-bromo-3-chloro-N-(1H-indol-4-ylmethyl)aniline
CID 107618761
2,6-dichloro-4-(1H-indol-4-ylmethylamino)phenol
CID 107679377
N-(1H-indol-4-ylmethyl)-4-methylpyrimidin-2-amine
CID 146147973
N-(pyridin-2-ylmethyl)-3-pyridin-2-yloxyaniline
CID 75518345
N-(1H-indol-4-ylmethyl)-1-propan-2-ylpyrazol-4-amine
CID 62999793
N-(1H-indol-4-ylmethyl)-1-pyridin-4-ylmethanamine
CID 17221052
N-methyl-1-(2-pyrazin-2-yloxyphenyl)methanamine
CID 106485481
2-(3-iodophenoxy)pyrazine
CID 60644113
2-[4-(1H-indol-4-ylmethylamino)pyrazol-1-yl]ethanol
CID 110924581
3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
CID 166205015
2-(4-pyrazin-2-yloxyphenoxy)pyrazine
CID 101444877

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-ylmethyl)-3-pyrazin-2-yloxyaniline?
The IUPAC name of N-(1H-indol-4-ylmethyl)-3-pyrazin-2-yloxyaniline (CID 71913694) is N-(1H-indol-4-ylmethyl)-3-pyrazin-2-yloxyaniline.
What is the SMILES notation for N-(1H-indol-4-ylmethyl)-3-pyrazin-2-yloxyaniline?
The canonical SMILES for N-(1H-indol-4-ylmethyl)-3-pyrazin-2-yloxyaniline is c1cc(NCc2cccc3[nH]ccc23)cc(Oc2cnccn2)c1.
What is the InChIKey of N-(1H-indol-4-ylmethyl)-3-pyrazin-2-yloxyaniline?
The InChIKey is QXFGTEPJYSFMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-3-14(17-7-8-21-18(17)6-1)12-23-15-4-2-5-16(11-15)24-19-13-20-9-10-22-19/h1-11,13,21,23H,12H2.
What are the key properties of N-(1H-indol-4-ylmethyl)-3-pyrazin-2-yloxyaniline?
N-(1H-indol-4-ylmethyl)-3-pyrazin-2-yloxyaniline has a molecular weight of 316.36 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-ylmethyl)-3-pyrazin-2-yloxyaniline is sourced from PubChem (CID 71913694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).