5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrol-3-amine

C22H22N4 — CID 89292756

IUPAC5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrol-3-amine
SMILESNc1cc(-c2ccnc(/C=C/c3ccccc3)c2)[nH]c1C1=CCNCC1
InChIInChI=1S/C22H22N4/c23-20-15-21(26-22(20)17-8-11-24-12-9-17)18-10-13-25-19(14-18)7-6-16-4-2-1-3-5-16/h1-8,10,13-15,24,26H,9,11-12,23H2/b7-6+
InChIKeyOIUVSMSMEBJBKT-VOTSOKGWSA-N
MW342.45 g/mol
LogP4.21
Rot. Bonds4

About 5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrol-3-amine

5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrol-3-amine (PubChem CID 89292756) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrol-3-amine.

Molecular Properties

Compound Name5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrol-3-amine
PubChem CID89292756
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrol-3-amine
SMILESNc1cc(-c2ccnc(/C=C/c3ccccc3)c2)[nH]c1C1=CCNCC1
InChIInChI=1S/C22H22N4/c23-20-15-21(26-22(20)17-8-11-24-12-9-17)18-10-13-25-19(14-18)7-6-16-4-2-1-3-5-16/h1-8,10,13-15,24,26H,9,11-12,23H2/b7-6+
InChIKeyOIUVSMSMEBJBKT-VOTSOKGWSA-N
XLogP4.21
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrol-3-amine?
The IUPAC name of 5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrol-3-amine (CID 89292756) is 5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrol-3-amine.
What is the SMILES notation for 5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrol-3-amine?
The canonical SMILES for 5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrol-3-amine is Nc1cc(-c2ccnc(/C=C/c3ccccc3)c2)[nH]c1C1=CCNCC1.
What is the InChIKey of 5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrol-3-amine?
The InChIKey is OIUVSMSMEBJBKT-VOTSOKGWSA-N. The full InChI is InChI=1S/C22H22N4/c23-20-15-21(26-22(20)17-8-11-24-12-9-17)18-10-13-25-19(14-18)7-6-16-4-2-1-3-5-16/h1-8,10,13-15,24,26H,9,11-12,23H2/b7-6+.
What are the key properties of 5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrol-3-amine?
5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrol-3-amine has a molecular weight of 342.45 g/mol, XLogP of 4.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrol-3-amine is sourced from PubChem (CID 89292756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).