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

C23H22N4 — CID 23646980

IUPAC2-(1-methylindol-3-yl)-2-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]ethanamine
SMILESCn1cc(C(CN)c2cncc(/C=C/c3ccncc3)c2)c2ccccc21
InChIInChI=1S/C23H22N4/c1-27-16-22(20-4-2-3-5-23(20)27)21(13-24)19-12-18(14-26-15-19)7-6-17-8-10-25-11-9-17/h2-12,14-16,21H,13,24H2,1H3/b7-6+
InChIKeySJDGHXXYFFXVPE-VOTSOKGWSA-N
MW354.46 g/mol
LogP4.23
Rot. Bonds5

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

2-(1-methylindol-3-yl)-2-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]ethanamine (PubChem CID 23646980) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-2-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-2-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]ethanamine
PubChem CID23646980
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC Name2-(1-methylindol-3-yl)-2-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]ethanamine
SMILESCn1cc(C(CN)c2cncc(/C=C/c3ccncc3)c2)c2ccccc21
InChIInChI=1S/C23H22N4/c1-27-16-22(20-4-2-3-5-23(20)27)21(13-24)19-12-18(14-26-15-19)7-6-17-8-10-25-11-9-17/h2-12,14-16,21H,13,24H2,1H3/b7-6+
InChIKeySJDGHXXYFFXVPE-VOTSOKGWSA-N
XLogP4.23
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]ethanamine?
The IUPAC name of 2-(1-methylindol-3-yl)-2-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]ethanamine (CID 23646980) is 2-(1-methylindol-3-yl)-2-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-(1-methylindol-3-yl)-2-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]ethanamine?
The canonical SMILES for 2-(1-methylindol-3-yl)-2-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]ethanamine is Cn1cc(C(CN)c2cncc(/C=C/c3ccncc3)c2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-2-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]ethanamine?
The InChIKey is SJDGHXXYFFXVPE-VOTSOKGWSA-N. The full InChI is InChI=1S/C23H22N4/c1-27-16-22(20-4-2-3-5-23(20)27)21(13-24)19-12-18(14-26-15-19)7-6-17-8-10-25-11-9-17/h2-12,14-16,21H,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]ethanamine?
2-(1-methylindol-3-yl)-2-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]ethanamine has a molecular weight of 354.46 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 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]ethanamine is sourced from PubChem (CID 23646980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).