4-[5-(4-piperidin-1-ylphenyl)thiophen-2-yl]-2H-pyridin-2-ide-3-carbonitrile;rhenium

C21H18N3ReS- — CID 153371390

IUPAC4-[5-(4-piperidin-1-ylphenyl)thiophen-2-yl]-2H-pyridin-2-ide-3-carbonitrile;rhenium
SMILESN#Cc1[c-]nccc1-c1ccc(-c2ccc(N3CCCCC3)cc2)s1.[Re]
InChIInChI=1S/C21H18N3S.Re/c22-14-17-15-23-11-10-19(17)21-9-8-20(25-21)16-4-6-18(7-5-16)24-12-2-1-3-13-24;/h4-11H,1-3,12-13H2;/q-1;
InChIKeyADIPKUQJDHSJHE-UHFFFAOYSA-N
MW530.67 g/mol
LogP5.14
Rot. Bonds3

About 4-[5-(4-piperidin-1-ylphenyl)thiophen-2-yl]-2H-pyridin-2-ide-3-carbonitrile;rhenium

4-[5-(4-piperidin-1-ylphenyl)thiophen-2-yl]-2H-pyridin-2-ide-3-carbonitrile;rhenium (PubChem CID 153371390) has the molecular formula C21H18N3ReS- and a molecular weight of 530.67 g/mol. Its IUPAC name is 4-[5-(4-piperidin-1-ylphenyl)thiophen-2-yl]-2H-pyridin-2-ide-3-carbonitrile;rhenium.

Molecular Properties

Compound Name4-[5-(4-piperidin-1-ylphenyl)thiophen-2-yl]-2H-pyridin-2-ide-3-carbonitrile;rhenium
PubChem CID153371390
Molecular FormulaC21H18N3ReS-
Molecular Weight530.67 g/mol
Exact Mass531.08
IUPAC Name4-[5-(4-piperidin-1-ylphenyl)thiophen-2-yl]-2H-pyridin-2-ide-3-carbonitrile;rhenium
SMILESN#Cc1[c-]nccc1-c1ccc(-c2ccc(N3CCCCC3)cc2)s1.[Re]
InChIInChI=1S/C21H18N3S.Re/c22-14-17-15-23-11-10-19(17)21-9-8-20(25-21)16-4-6-18(7-5-16)24-12-2-1-3-13-24;/h4-11H,1-3,12-13H2;/q-1;
InChIKeyADIPKUQJDHSJHE-UHFFFAOYSA-N
XLogP5.14
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

4-(4-piperidin-1-ylphenyl)pyridine-3-carbonitrile
CID 118401000
2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]acetonitrile
CID 134287245
ethane;4-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]pyridine-3-carbonitrile
CID 145041366
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile
CID 144927700
ethane;1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile
CID 144927699
4-[1-methyl-5-(4-piperidin-1-ylphenyl)pyrrol-2-yl]pyridine-3-carbonitrile
CID 153371436
2-methyl-5-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole
CID 163230344
4-(4-piperidin-1-ylphenyl)aniline
CID 45277459
2-isocyano-3-[5-(4-piperidin-1-ylphenyl)thiophen-2-yl]prop-2-enoic acid
CID 91099524
1-[4-(2-chlorophenyl)phenyl]piperidine
CID 175206648
2-(4-pyrrolidin-1-ylphenyl)triazole
CID 168515524

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-piperidin-1-ylphenyl)thiophen-2-yl]-2H-pyridin-2-ide-3-carbonitrile;rhenium?
The IUPAC name of 4-[5-(4-piperidin-1-ylphenyl)thiophen-2-yl]-2H-pyridin-2-ide-3-carbonitrile;rhenium (CID 153371390) is 4-[5-(4-piperidin-1-ylphenyl)thiophen-2-yl]-2H-pyridin-2-ide-3-carbonitrile;rhenium.
What is the SMILES notation for 4-[5-(4-piperidin-1-ylphenyl)thiophen-2-yl]-2H-pyridin-2-ide-3-carbonitrile;rhenium?
The canonical SMILES for 4-[5-(4-piperidin-1-ylphenyl)thiophen-2-yl]-2H-pyridin-2-ide-3-carbonitrile;rhenium is N#Cc1[c-]nccc1-c1ccc(-c2ccc(N3CCCCC3)cc2)s1.[Re].
What is the InChIKey of 4-[5-(4-piperidin-1-ylphenyl)thiophen-2-yl]-2H-pyridin-2-ide-3-carbonitrile;rhenium?
The InChIKey is ADIPKUQJDHSJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N3S.Re/c22-14-17-15-23-11-10-19(17)21-9-8-20(25-21)16-4-6-18(7-5-16)24-12-2-1-3-13-24;/h4-11H,1-3,12-13H2;/q-1;.
What are the key properties of 4-[5-(4-piperidin-1-ylphenyl)thiophen-2-yl]-2H-pyridin-2-ide-3-carbonitrile;rhenium?
4-[5-(4-piperidin-1-ylphenyl)thiophen-2-yl]-2H-pyridin-2-ide-3-carbonitrile;rhenium has a molecular weight of 530.67 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-piperidin-1-ylphenyl)thiophen-2-yl]-2H-pyridin-2-ide-3-carbonitrile;rhenium is sourced from PubChem (CID 153371390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).