5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]pyridine-2-carbonitrile

C17H16N4O — CID 133358833

IUPAC5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCc2ccc(N3CCCC3=O)cc2)cn1
InChIInChI=1S/C17H16N4O/c18-10-14-5-6-15(12-20-14)19-11-13-3-7-16(8-4-13)21-9-1-2-17(21)22/h3-8,12,19H,1-2,9,11H2
InChIKeyDPIDJLKKBACCFO-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.69
Rot. Bonds4

About 5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]pyridine-2-carbonitrile

5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]pyridine-2-carbonitrile (PubChem CID 133358833) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]pyridine-2-carbonitrile
PubChem CID133358833
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCc2ccc(N3CCCC3=O)cc2)cn1
InChIInChI=1S/C17H16N4O/c18-10-14-5-6-15(12-20-14)19-11-13-3-7-16(8-4-13)21-9-1-2-17(21)22/h3-8,12,19H,1-2,9,11H2
InChIKeyDPIDJLKKBACCFO-UHFFFAOYSA-N
XLogP2.69
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]benzonitrile
CID 133345411
1-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrrolidin-2-one
CID 62758405
5-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 133358839
N-[4-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]phenyl]propane-2-sulfonamide
CID 70939268
1-[4-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one
CID 43679622
1-[4-[[(5-chloro-2-methylpyrimidin-4-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 135108946
5-[(4-methylsulfonylphenyl)methylamino]pyridine-2-carbonitrile
CID 79840062
N-[4-(cyanomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 27446201
5-[(4-morpholin-4-ylsulfonylphenyl)methylamino]pyridine-2-carbonitrile
CID 133358400
1-[4-[(1-ethylpyrrol-3-yl)methylamino]phenyl]pyrrolidin-2-one
CID 66398416
1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 43232057
1-[4-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]pyrrolidin-2-one
CID 62760532

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]pyridine-2-carbonitrile (CID 133358833) is 5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]pyridine-2-carbonitrile is N#Cc1ccc(NCc2ccc(N3CCCC3=O)cc2)cn1.
What is the InChIKey of 5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]pyridine-2-carbonitrile?
The InChIKey is DPIDJLKKBACCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c18-10-14-5-6-15(12-20-14)19-11-13-3-7-16(8-4-13)21-9-1-2-17(21)22/h3-8,12,19H,1-2,9,11H2.
What are the key properties of 5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]pyridine-2-carbonitrile?
5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]pyridine-2-carbonitrile has a molecular weight of 292.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 133358833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).