1-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]pyrrolidin-2-one

C17H19N3O — CID 104749314

IUPAC1-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]pyrrolidin-2-one
SMILESCc1ccc(CNc2cccc(N3CCCC3=O)c2)cn1
InChIInChI=1S/C17H19N3O/c1-13-7-8-14(11-18-13)12-19-15-4-2-5-16(10-15)20-9-3-6-17(20)21/h2,4-5,7-8,10-11,19H,3,6,9,12H2,1H3
InChIKeyISPPSOUEMQAOEB-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.13
Rot. Bonds4

About 1-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]pyrrolidin-2-one

1-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]pyrrolidin-2-one (PubChem CID 104749314) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]pyrrolidin-2-one
PubChem CID104749314
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]pyrrolidin-2-one
SMILESCc1ccc(CNc2cccc(N3CCCC3=O)c2)cn1
InChIInChI=1S/C17H19N3O/c1-13-7-8-14(11-18-13)12-19-15-4-2-5-16(10-15)20-9-3-6-17(20)21/h2,4-5,7-8,10-11,19H,3,6,9,12H2,1H3
InChIKeyISPPSOUEMQAOEB-UHFFFAOYSA-N
XLogP3.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(3-bromophenyl)methylamino]phenyl]pyrrolidin-2-one
CID 28680049
1-[3-[(2-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 28680051
1-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]pyrrolidin-2-one
CID 28781574
1-[3-[(3-methylfuran-2-yl)methylamino]phenyl]pyrrolidin-2-one
CID 115652503
1-[3-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]pyrrolidin-2-one
CID 133482001
1-[3-(butylamino)phenyl]pyrrolidin-2-one
CID 28680112
1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 43232057
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 134056865
3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide
CID 45137636
1-[3-[[2-(hydroxymethyl)-2-methylbutyl]amino]phenyl]pyrrolidin-2-one
CID 81411006
1-[3-(2,3-dihydroxypropylamino)phenyl]pyrrolidin-2-one
CID 168597538
1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 70517179

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]pyrrolidin-2-one (CID 104749314) is 1-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]pyrrolidin-2-one is Cc1ccc(CNc2cccc(N3CCCC3=O)c2)cn1.
What is the InChIKey of 1-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]pyrrolidin-2-one?
The InChIKey is ISPPSOUEMQAOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-7-8-14(11-18-13)12-19-15-4-2-5-16(10-15)20-9-3-6-17(20)21/h2,4-5,7-8,10-11,19H,3,6,9,12H2,1H3.
What are the key properties of 1-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]pyrrolidin-2-one?
1-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]pyrrolidin-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 104749314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).