2-(2-aminoethyl)-5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile;hydrochloride

C20H19ClN4 — CID 68716521

IUPAC2-(2-aminoethyl)-5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile;hydrochloride
SMILESCl.N#Cc1cc(-c2ccnc(/C=C/c3ccccc3)c2)[nH]c1CCN
InChIInChI=1S/C20H18N4.ClH/c21-10-8-19-17(14-22)13-20(24-19)16-9-11-23-18(12-16)7-6-15-4-2-1-3-5-15;/h1-7,9,11-13,24H,8,10,21H2;1H/b7-6+;
InChIKeyPZGFIWNYDWRJKN-UHDJGPCESA-N
MW350.85 g/mol
LogP4.04
Rot. Bonds5

About 2-(2-aminoethyl)-5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile;hydrochloride

2-(2-aminoethyl)-5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile;hydrochloride (PubChem CID 68716521) has the molecular formula C20H19ClN4 and a molecular weight of 350.85 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile;hydrochloride
PubChem CID68716521
Molecular FormulaC20H19ClN4
Molecular Weight350.85 g/mol
Exact Mass350.13
IUPAC Name2-(2-aminoethyl)-5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile;hydrochloride
SMILESCl.N#Cc1cc(-c2ccnc(/C=C/c3ccccc3)c2)[nH]c1CCN
InChIInChI=1S/C20H18N4.ClH/c21-10-8-19-17(14-22)13-20(24-19)16-9-11-23-18(12-16)7-6-15-4-2-1-3-5-15;/h1-7,9,11-13,24H,8,10,21H2;1H/b7-6+;
InChIKeyPZGFIWNYDWRJKN-UHDJGPCESA-N
XLogP4.04
TPSA78.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile;hydrochloride (CID 68716521) is 2-(2-aminoethyl)-5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile;hydrochloride is Cl.N#Cc1cc(-c2ccnc(/C=C/c3ccccc3)c2)[nH]c1CCN.
What is the InChIKey of 2-(2-aminoethyl)-5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile;hydrochloride?
The InChIKey is PZGFIWNYDWRJKN-UHDJGPCESA-N. The full InChI is InChI=1S/C20H18N4.ClH/c21-10-8-19-17(14-22)13-20(24-19)16-9-11-23-18(12-16)7-6-15-4-2-1-3-5-15;/h1-7,9,11-13,24H,8,10,21H2;1H/b7-6+;.
What are the key properties of 2-(2-aminoethyl)-5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile;hydrochloride?
2-(2-aminoethyl)-5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile;hydrochloride is sourced from PubChem (CID 68716521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).