6-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile

C19H20N4O — CID 56888573

IUPAC6-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NC2CC(=O)N(CCCc3ccccc3)C2)n1
InChIInChI=1S/C19H20N4O/c20-13-16-9-4-10-18(21-16)22-17-12-19(24)23(14-17)11-5-8-15-6-2-1-3-7-15/h1-4,6-7,9-10,17H,5,8,11-12,14H2,(H,21,22)
InChIKeyNJZSTXSTOAESOF-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.60
Rot. Bonds6

About 6-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile

6-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile (PubChem CID 56888573) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 6-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile
PubChem CID56888573
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name6-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NC2CC(=O)N(CCCc3ccccc3)C2)n1
InChIInChI=1S/C19H20N4O/c20-13-16-9-4-10-18(21-16)22-17-12-19(24)23(14-17)11-5-8-15-6-2-1-3-7-15/h1-4,6-7,9-10,17H,5,8,11-12,14H2,(H,21,22)
InChIKeyNJZSTXSTOAESOF-UHFFFAOYSA-N
XLogP2.60
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile (CID 56888573) is 6-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile is N#Cc1cccc(NC2CC(=O)N(CCCc3ccccc3)C2)n1.
What is the InChIKey of 6-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile?
The InChIKey is NJZSTXSTOAESOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c20-13-16-9-4-10-18(21-16)22-17-12-19(24)23(14-17)11-5-8-15-6-2-1-3-7-15/h1-4,6-7,9-10,17H,5,8,11-12,14H2,(H,21,22).
What are the key properties of 6-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile?
6-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile has a molecular weight of 320.40 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 56888573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).