5-[(5-cyano-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-(2,6-dichlorophenyl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carbonitrile

C27H24Cl2N6O4 — CID 54695414

IUPAC5-[(5-cyano-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-(2,6-dichlorophenyl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(N2CCCC2)[nH]c(=O)c(C(c2c(Cl)cccc2Cl)c2c(O)c(C#N)c(N3CCCC3)[nH]c2=O)c1O
InChIInChI=1S/C27H24Cl2N6O4/c28-16-6-5-7-17(29)18(16)19(20-22(36)14(12-30)24(32-26(20)38)34-8-1-2-9-34)21-23(37)15(13-31)25(33-27(21)39)35-10-3-4-11-35/h5-7,19H,1-4,8-11H2,(H2,32,36,38)(H2,33,37,39)
InChIKeyKLWKUWVYNNDWFF-UHFFFAOYSA-N
MW567.43 g/mol
LogP3.91
Rot. Bonds5

About 5-[(5-cyano-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-(2,6-dichlorophenyl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carbonitrile

5-[(5-cyano-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-(2,6-dichlorophenyl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carbonitrile (PubChem CID 54695414) has the molecular formula C27H24Cl2N6O4 and a molecular weight of 567.43 g/mol. Its IUPAC name is 5-[(5-cyano-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-(2,6-dichlorophenyl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(5-cyano-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-(2,6-dichlorophenyl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carbonitrile
PubChem CID54695414
Molecular FormulaC27H24Cl2N6O4
Molecular Weight567.43 g/mol
Exact Mass566.12
IUPAC Name5-[(5-cyano-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-(2,6-dichlorophenyl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(N2CCCC2)[nH]c(=O)c(C(c2c(Cl)cccc2Cl)c2c(O)c(C#N)c(N3CCCC3)[nH]c2=O)c1O
InChIInChI=1S/C27H24Cl2N6O4/c28-16-6-5-7-17(29)18(16)19(20-22(36)14(12-30)24(32-26(20)38)34-8-1-2-9-34)21-23(37)15(13-31)25(33-27(21)39)35-10-3-4-11-35/h5-7,19H,1-4,8-11H2,(H2,32,36,38)(H2,33,37,39)
InChIKeyKLWKUWVYNNDWFF-UHFFFAOYSA-N
XLogP3.91
TPSA160.24 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.43
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-[(5-cyano-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-(2,6-dichlorophenyl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

5-[(5-cyano-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-(4-fluorophenyl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carbonitrile
CID 54695416
4-(2-chloro-4-pyrrolidin-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584570
2-(4-acetyl-1,4-diazepan-1-yl)-6-chlorobenzonitrile
CID 55023991
4-methyl-5-phenyl-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile
CID 14144309
1-hydroxy-4-piperidin-1-ylnaphthalene-2,3-dicarbonitrile
CID 58838838
2-(2-chloro-6-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid
CID 117108587
2-chloro-6-(1,4-thiazepan-4-yl)benzonitrile
CID 62496053
2-[1-(3-chloro-2-cyanophenyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83199117
2,7-dichloro-1H-indole-3-carbonitrile
CID 82269323
1-(2-chloro-6-cyanophenyl)piperidine-3-carboxylic acid
CID 120964825
2-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]benzonitrile
CID 60677826
2-chloro-6-(3-hydroxy-3-methylpyrrolidin-1-yl)benzonitrile
CID 103356079

Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyano-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-(2,6-dichlorophenyl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-[(5-cyano-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-(2,6-dichlorophenyl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carbonitrile (CID 54695414) is 5-[(5-cyano-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-(2,6-dichlorophenyl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(5-cyano-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-(2,6-dichlorophenyl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-[(5-cyano-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-(2,6-dichlorophenyl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carbonitrile is N#Cc1c(N2CCCC2)[nH]c(=O)c(C(c2c(Cl)cccc2Cl)c2c(O)c(C#N)c(N3CCCC3)[nH]c2=O)c1O.
What is the InChIKey of 5-[(5-cyano-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-(2,6-dichlorophenyl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carbonitrile?
The InChIKey is KLWKUWVYNNDWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl2N6O4/c28-16-6-5-7-17(29)18(16)19(20-22(36)14(12-30)24(32-26(20)38)34-8-1-2-9-34)21-23(37)15(13-31)25(33-27(21)39)35-10-3-4-11-35/h5-7,19H,1-4,8-11H2,(H2,32,36,38)(H2,33,37,39).
What are the key properties of 5-[(5-cyano-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-(2,6-dichlorophenyl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carbonitrile?
5-[(5-cyano-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-(2,6-dichlorophenyl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carbonitrile has a molecular weight of 567.43 g/mol, XLogP of 3.91, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyano-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-(2,6-dichlorophenyl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 54695414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).