(5S)-5-[[(2-methoxy-6-methyl-3-pyridinyl)methyl-methylamino]methyl]pyrrolidin-2-one

C14H21N3O2 — CID 171490211

IUPAC(5S)-5-[[(2-methoxy-6-methyl-3-pyridinyl)methyl-methylamino]methyl]pyrrolidin-2-one
SMILESCOc1nc(C)ccc1CN(C)C[C@@H]1CCC(=O)N1
InChIInChI=1S/C14H21N3O2/c1-10-4-5-11(14(15-10)19-3)8-17(2)9-12-6-7-13(18)16-12/h4-5,12H,6-9H2,1-3H3,(H,16,18)/t12-/m0/s1
InChIKeyKJDITWNXHQKBHY-LBPRGKRZSA-N
MW263.34 g/mol
LogP1.11
Rot. Bonds5

About (5S)-5-[[(2-methoxy-6-methyl-3-pyridinyl)methyl-methylamino]methyl]pyrrolidin-2-one

(5S)-5-[[(2-methoxy-6-methyl-3-pyridinyl)methyl-methylamino]methyl]pyrrolidin-2-one (PubChem CID 171490211) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (5S)-5-[[(2-methoxy-6-methyl-3-pyridinyl)methyl-methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[(2-methoxy-6-methyl-3-pyridinyl)methyl-methylamino]methyl]pyrrolidin-2-one
PubChem CID171490211
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(5S)-5-[[(2-methoxy-6-methyl-3-pyridinyl)methyl-methylamino]methyl]pyrrolidin-2-one
SMILESCOc1nc(C)ccc1CN(C)C[C@@H]1CCC(=O)N1
InChIInChI=1S/C14H21N3O2/c1-10-4-5-11(14(15-10)19-3)8-17(2)9-12-6-7-13(18)16-12/h4-5,12H,6-9H2,1-3H3,(H,16,18)/t12-/m0/s1
InChIKeyKJDITWNXHQKBHY-LBPRGKRZSA-N
XLogP1.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-5-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyrrolidin-2-one
CID 171489543
(5R)-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrrolidin-2-one
CID 141078121
[(2R)-5-oxopyrrolidin-2-yl]methyl N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]carbamate
CID 171490138
(5R)-5-[[[4-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl-methylamino]methyl]pyrrolidin-2-one
CID 170697192
N-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]formamide
CID 165030129
tert-butyl N-[[2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate
CID 170983542
[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]methyl-[(5-oxopyrrolidin-2-yl)methyl]carbamic acid
CID 166692660
(5R)-5-[[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
CID 146206736
[(2S)-5-oxopyrrolidin-2-yl]methyl N-[(6-bromo-2-methoxy-3-pyridinyl)methyl]carbamate
CID 171489847
[6-[2-chloro-3-[2-chloro-3-(3-formyl-1,6-naphthyridin-7-yl)phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl-[(5-oxopyrrolidin-2-yl)methyl]carbamic acid
CID 166693733
[6-[2-chloro-3-[2-chloro-3-[3-chloro-2-[[methyl-[(2S)-5-oxopyrrolidin-2-yl]amino]methyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamic acid
CID 166692868
5-[[(4-methoxy-6-methylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one
CID 112691898

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[(2-methoxy-6-methyl-3-pyridinyl)methyl-methylamino]methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[[(2-methoxy-6-methyl-3-pyridinyl)methyl-methylamino]methyl]pyrrolidin-2-one (CID 171490211) is (5S)-5-[[(2-methoxy-6-methyl-3-pyridinyl)methyl-methylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[[(2-methoxy-6-methyl-3-pyridinyl)methyl-methylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[[(2-methoxy-6-methyl-3-pyridinyl)methyl-methylamino]methyl]pyrrolidin-2-one is COc1nc(C)ccc1CN(C)C[C@@H]1CCC(=O)N1.
What is the InChIKey of (5S)-5-[[(2-methoxy-6-methyl-3-pyridinyl)methyl-methylamino]methyl]pyrrolidin-2-one?
The InChIKey is KJDITWNXHQKBHY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-4-5-11(14(15-10)19-3)8-17(2)9-12-6-7-13(18)16-12/h4-5,12H,6-9H2,1-3H3,(H,16,18)/t12-/m0/s1.
What are the key properties of (5S)-5-[[(2-methoxy-6-methyl-3-pyridinyl)methyl-methylamino]methyl]pyrrolidin-2-one?
(5S)-5-[[(2-methoxy-6-methyl-3-pyridinyl)methyl-methylamino]methyl]pyrrolidin-2-one has a molecular weight of 263.34 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[(2-methoxy-6-methyl-3-pyridinyl)methyl-methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 171490211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).