1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carbonitrile;1-(3,5-dichloro-4-pyridinyl)pyrrolidine-3-carbonitrile

C26H23Cl3N6 — CID 160634330

IUPAC1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carbonitrile;1-(3,5-dichloro-4-pyridinyl)pyrrolidine-3-carbonitrile
SMILESN#CC1CCN(c2c(Cl)cncc2-c2ccccc2)C1.N#CC1CCN(c2c(Cl)cncc2Cl)C1
InChIInChI=1S/C16H14ClN3.C10H9Cl2N3/c17-15-10-19-9-14(13-4-2-1-3-5-13)16(15)20-7-6-12(8-18)11-20;11-8-4-14-5-9(12)10(8)15-2-1-7(3-13)6-15/h1-5,9-10,12H,6-7,11H2;4-5,7H,1-2,6H2
InChIKeyRIINOEZBLXWDOU-UHFFFAOYSA-N
MW525.87 g/mol
LogP6.49
Rot. Bonds3

About 1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carbonitrile;1-(3,5-dichloro-4-pyridinyl)pyrrolidine-3-carbonitrile

1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carbonitrile;1-(3,5-dichloro-4-pyridinyl)pyrrolidine-3-carbonitrile (PubChem CID 160634330) has the molecular formula C26H23Cl3N6 and a molecular weight of 525.87 g/mol. Its IUPAC name is 1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carbonitrile;1-(3,5-dichloro-4-pyridinyl)pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carbonitrile;1-(3,5-dichloro-4-pyridinyl)pyrrolidine-3-carbonitrile
PubChem CID160634330
Molecular FormulaC26H23Cl3N6
Molecular Weight525.87 g/mol
Exact Mass524.10
IUPAC Name1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carbonitrile;1-(3,5-dichloro-4-pyridinyl)pyrrolidine-3-carbonitrile
SMILESN#CC1CCN(c2c(Cl)cncc2-c2ccccc2)C1.N#CC1CCN(c2c(Cl)cncc2Cl)C1
InChIInChI=1S/C16H14ClN3.C10H9Cl2N3/c17-15-10-19-9-14(13-4-2-1-3-5-13)16(15)20-7-6-12(8-18)11-20;11-8-4-14-5-9(12)10(8)15-2-1-7(3-13)6-15/h1-5,9-10,12H,6-7,11H2;4-5,7H,1-2,6H2
InChIKeyRIINOEZBLXWDOU-UHFFFAOYSA-N
XLogP6.49
TPSA79.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.87
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carbonitrile;1-(3,5-dichloro-4-pyridinyl)pyrrolidine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Chloro-2,3-dihydro-1-(phenylmethyl)-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile
CID 788116
3-(5-Chloro-3-pyridinyl)-8-(2-fluoro-2-phenylpropyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 18519932
8-[(3-Chloro-4-fluorophenyl)methyl]-3-(5-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 70025414
3-(5-Chloro-3-pyridinyl)-8-(1-fluoro-2-phenylpropan-2-yl)-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 142630614
2-Chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridine
CID 151572783
3-Chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridine
CID 117825113
6-(3-Chloro-5-fluoro-4-pyridinyl)-8-phenyl-6-azaspiro[3.4]octane
CID 166319954
3-(5-Chloro-3-pyridinyl)-8-prop-2-enyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 18519916
3-(5-chloro-3-pyridinyl)-8-[(E)-2-phenylprop-1-enyl]-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 18519933
3-(5-Chloro-3-pyridinyl)-8-(2-phenylbut-3-en-2-yl)-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 18519939
3-(5-Chloro-3-pyridinyl)-8-(2-cyanoethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 18519951
3-(5-Chloro-3-pyridinyl)-8-(1-phenylethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 18519965

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carbonitrile;1-(3,5-dichloro-4-pyridinyl)pyrrolidine-3-carbonitrile?
The IUPAC name of 1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carbonitrile;1-(3,5-dichloro-4-pyridinyl)pyrrolidine-3-carbonitrile (CID 160634330) is 1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carbonitrile;1-(3,5-dichloro-4-pyridinyl)pyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carbonitrile;1-(3,5-dichloro-4-pyridinyl)pyrrolidine-3-carbonitrile?
The canonical SMILES for 1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carbonitrile;1-(3,5-dichloro-4-pyridinyl)pyrrolidine-3-carbonitrile is N#CC1CCN(c2c(Cl)cncc2-c2ccccc2)C1.N#CC1CCN(c2c(Cl)cncc2Cl)C1.
What is the InChIKey of 1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carbonitrile;1-(3,5-dichloro-4-pyridinyl)pyrrolidine-3-carbonitrile?
The InChIKey is RIINOEZBLXWDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3.C10H9Cl2N3/c17-15-10-19-9-14(13-4-2-1-3-5-13)16(15)20-7-6-12(8-18)11-20;11-8-4-14-5-9(12)10(8)15-2-1-7(3-13)6-15/h1-5,9-10,12H,6-7,11H2;4-5,7H,1-2,6H2.
What are the key properties of 1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carbonitrile;1-(3,5-dichloro-4-pyridinyl)pyrrolidine-3-carbonitrile?
1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carbonitrile;1-(3,5-dichloro-4-pyridinyl)pyrrolidine-3-carbonitrile has a molecular weight of 525.87 g/mol, XLogP of 6.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carbonitrile;1-(3,5-dichloro-4-pyridinyl)pyrrolidine-3-carbonitrile is sourced from PubChem (CID 160634330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).