1-[2-(pyridin-2-ylmethylamino)phenyl]pyrrolidin-2-one

C16H17N3O — CID 28682039

IUPAC1-[2-(pyridin-2-ylmethylamino)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccccc1NCc1ccccn1
InChIInChI=1S/C16H17N3O/c20-16-9-5-11-19(16)15-8-2-1-7-14(15)18-12-13-6-3-4-10-17-13/h1-4,6-8,10,18H,5,9,11-12H2
InChIKeyAIEFBDZMXVEGBY-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.82
Rot. Bonds4

About 1-[2-(pyridin-2-ylmethylamino)phenyl]pyrrolidin-2-one

1-[2-(pyridin-2-ylmethylamino)phenyl]pyrrolidin-2-one (PubChem CID 28682039) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[2-(pyridin-2-ylmethylamino)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(pyridin-2-ylmethylamino)phenyl]pyrrolidin-2-one
PubChem CID28682039
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-[2-(pyridin-2-ylmethylamino)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccccc1NCc1ccccn1
InChIInChI=1S/C16H17N3O/c20-16-9-5-11-19(16)15-8-2-1-7-14(15)18-12-13-6-3-4-10-17-13/h1-4,6-8,10,18H,5,9,11-12H2
InChIKeyAIEFBDZMXVEGBY-UHFFFAOYSA-N
XLogP2.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(benzylamino)phenyl]pyrrolidin-2-one
CID 28682033
1-[2-[(4-chlorophenyl)methylamino]phenyl]pyrrolidin-2-one
CID 41395637
1-[2-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one
CID 28682000
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one
CID 31984142
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 53284171
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-quinolin-8-ylacetamide
CID 24653426
1-[2-(4-methylsulfanylbutylamino)phenyl]pyrrolidin-2-one
CID 103087296
N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(pyridin-2-ylmethyl)oxamide
CID 18584398
N-[2-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide
CID 60675578
1-[2-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]pyrrolidin-2-one
CID 107441227
1-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one
CID 17399408
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-pyrazol-1-ylacetamide
CID 39724891

Frequently Asked Questions

What is the IUPAC name of 1-[2-(pyridin-2-ylmethylamino)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(pyridin-2-ylmethylamino)phenyl]pyrrolidin-2-one (CID 28682039) is 1-[2-(pyridin-2-ylmethylamino)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(pyridin-2-ylmethylamino)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(pyridin-2-ylmethylamino)phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccccc1NCc1ccccn1.
What is the InChIKey of 1-[2-(pyridin-2-ylmethylamino)phenyl]pyrrolidin-2-one?
The InChIKey is AIEFBDZMXVEGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c20-16-9-5-11-19(16)15-8-2-1-7-14(15)18-12-13-6-3-4-10-17-13/h1-4,6-8,10,18H,5,9,11-12H2.
What are the key properties of 1-[2-(pyridin-2-ylmethylamino)phenyl]pyrrolidin-2-one?
1-[2-(pyridin-2-ylmethylamino)phenyl]pyrrolidin-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pyridin-2-ylmethylamino)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 28682039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).