6-[[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile

C16H12Cl2N4O — CID 133439006

IUPAC6-[[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NC2CCN(c3ccc(Cl)c(Cl)c3)C2=O)nc1
InChIInChI=1S/C16H12Cl2N4O/c17-12-3-2-11(7-13(12)18)22-6-5-14(16(22)23)21-15-4-1-10(8-19)9-20-15/h1-4,7,9,14H,5-6H2,(H,20,21)
InChIKeyMWTAWYGQANCJOX-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.48
Rot. Bonds3

About 6-[[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile

6-[[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile (PubChem CID 133439006) has the molecular formula C16H12Cl2N4O and a molecular weight of 347.21 g/mol. Its IUPAC name is 6-[[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile
PubChem CID133439006
Molecular FormulaC16H12Cl2N4O
Molecular Weight347.21 g/mol
Exact Mass346.04
IUPAC Name6-[[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NC2CCN(c3ccc(Cl)c(Cl)c3)C2=O)nc1
InChIInChI=1S/C16H12Cl2N4O/c17-12-3-2-11(7-13(12)18)22-6-5-14(16(22)23)21-15-4-1-10(8-19)9-20-15/h1-4,7,9,14H,5-6H2,(H,20,21)
InChIKeyMWTAWYGQANCJOX-UHFFFAOYSA-N
XLogP3.48
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133438994
1-(3,4-dichlorophenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 133439003
1-(3,4-dichlorophenyl)-3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]pyrrolidin-2-one
CID 133439004
6-[(2-oxooxolan-3-yl)amino]pyridine-3-carbonitrile
CID 43822801
1-(4-chloro-3-fluorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 133462212
2-[[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]amino]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133439043
N-[(3R)-1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide
CID 97340463
1-(3-chlorophenyl)-3-[(6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 133338455
4-[[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]amino]-N-methyl-3-nitrobenzamide
CID 133439015
3-chloro-4-[3-(methylamino)-2-oxopyrrolidin-1-yl]benzonitrile
CID 107810418
N-[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 75448375
1-(4-chlorophenyl)-3-[(4-methyl-5-nitro-2-pyridinyl)amino]pyrrolidin-2-one
CID 133340094

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile (CID 133439006) is 6-[[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile is N#Cc1ccc(NC2CCN(c3ccc(Cl)c(Cl)c3)C2=O)nc1.
What is the InChIKey of 6-[[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile?
The InChIKey is MWTAWYGQANCJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O/c17-12-3-2-11(7-13(12)18)22-6-5-14(16(22)23)21-15-4-1-10(8-19)9-20-15/h1-4,7,9,14H,5-6H2,(H,20,21).
What are the key properties of 6-[[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile?
6-[[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile has a molecular weight of 347.21 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 133439006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).