2-(1-methylindol-3-yl)-2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethanamine

C23H22N4O — CID 45482457

IUPAC2-(1-methylindol-3-yl)-2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethanamine
SMILESCn1cc(C(CN)Oc2cncc(/C=C/c3ccncc3)c2)c2ccccc21
InChIInChI=1S/C23H22N4O/c1-27-16-21(20-4-2-3-5-22(20)27)23(13-24)28-19-12-18(14-26-15-19)7-6-17-8-10-25-11-9-17/h2-12,14-16,23H,13,24H2,1H3/b7-6+
InChIKeyLRGLASTUFMCSKF-VOTSOKGWSA-N
MW370.46 g/mol
LogP4.22
Rot. Bonds6

About 2-(1-methylindol-3-yl)-2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethanamine

2-(1-methylindol-3-yl)-2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethanamine (PubChem CID 45482457) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethanamine.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethanamine
PubChem CID45482457
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name2-(1-methylindol-3-yl)-2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethanamine
SMILESCn1cc(C(CN)Oc2cncc(/C=C/c3ccncc3)c2)c2ccccc21
InChIInChI=1S/C23H22N4O/c1-27-16-21(20-4-2-3-5-22(20)27)23(13-24)28-19-12-18(14-26-15-19)7-6-17-8-10-25-11-9-17/h2-12,14-16,23H,13,24H2,1H3/b7-6+
InChIKeyLRGLASTUFMCSKF-VOTSOKGWSA-N
XLogP4.22
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethanamine?
The IUPAC name of 2-(1-methylindol-3-yl)-2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethanamine (CID 45482457) is 2-(1-methylindol-3-yl)-2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethanamine.
What is the SMILES notation for 2-(1-methylindol-3-yl)-2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethanamine?
The canonical SMILES for 2-(1-methylindol-3-yl)-2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethanamine is Cn1cc(C(CN)Oc2cncc(/C=C/c3ccncc3)c2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethanamine?
The InChIKey is LRGLASTUFMCSKF-VOTSOKGWSA-N. The full InChI is InChI=1S/C23H22N4O/c1-27-16-21(20-4-2-3-5-22(20)27)23(13-24)28-19-12-18(14-26-15-19)7-6-17-8-10-25-11-9-17/h2-12,14-16,23H,13,24H2,1H3/b7-6+.
What are the key properties of 2-(1-methylindol-3-yl)-2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethanamine?
2-(1-methylindol-3-yl)-2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethanamine has a molecular weight of 370.46 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethanamine is sourced from PubChem (CID 45482457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).