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

C17H19N3O — CID 133482001

IUPAC1-[3-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]pyrrolidin-2-one
SMILESCc1cccc(NCc2cccc(N3CCCC3=O)c2)n1
InChIInChI=1S/C17H19N3O/c1-13-5-2-8-16(19-13)18-12-14-6-3-7-15(11-14)20-10-4-9-17(20)21/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,18,19)
InChIKeyMBRPUDMXRMNZFW-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.13
Rot. Bonds4

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

1-[3-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]pyrrolidin-2-one (PubChem CID 133482001) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[3-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]pyrrolidin-2-one
PubChem CID133482001
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-[3-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]pyrrolidin-2-one
SMILESCc1cccc(NCc2cccc(N3CCCC3=O)c2)n1
InChIInChI=1S/C17H19N3O/c1-13-5-2-8-16(19-13)18-12-14-6-3-7-15(11-14)20-10-4-9-17(20)21/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,18,19)
InChIKeyMBRPUDMXRMNZFW-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-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 120970003
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one
CID 88577305
1-[3-(methylaminomethyl)phenyl]piperidin-2-one
CID 63272190
1-[3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 126771367
3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 39004153
1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one
CID 113352085
1-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]pyrrolidin-2-one
CID 104749314
1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 43232057
1-[3-[[(5-chloro-2-methoxypyrimidin-4-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 99632936
1-[3-[(3-bromophenyl)methylamino]phenyl]pyrrolidin-2-one
CID 28680049
2-(4-tert-butylphenoxy)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 39517699

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]pyrrolidin-2-one (CID 133482001) is 1-[3-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]pyrrolidin-2-one is Cc1cccc(NCc2cccc(N3CCCC3=O)c2)n1.
What is the InChIKey of 1-[3-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]pyrrolidin-2-one?
The InChIKey is MBRPUDMXRMNZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-5-2-8-16(19-13)18-12-14-6-3-7-15(11-14)20-10-4-9-17(20)21/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,18,19).
What are the key properties of 1-[3-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]pyrrolidin-2-one?
1-[3-[[(6-methyl-2-pyridinyl)amino]methyl]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-2-pyridinyl)amino]methyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 133482001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).