1-[4-[(1S)-1-[(2-ethoxy-3-pyridinyl)methylamino]ethyl]phenyl]pyrrolidin-2-one

C20H25N3O2 — CID 97229902

IUPAC1-[4-[(1S)-1-[(2-ethoxy-3-pyridinyl)methylamino]ethyl]phenyl]pyrrolidin-2-one
SMILESCCOc1ncccc1CN[C@@H](C)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H25N3O2/c1-3-25-20-17(6-4-12-21-20)14-22-15(2)16-8-10-18(11-9-16)23-13-5-7-19(23)24/h4,6,8-12,15,22H,3,5,7,13-14H2,1-2H3/t15-/m0/s1
InChIKeySPGZKHPZXILCDO-HNNXBMFYSA-N
MW339.44 g/mol
LogP3.46
Rot. Bonds7

About 1-[4-[(1S)-1-[(2-ethoxy-3-pyridinyl)methylamino]ethyl]phenyl]pyrrolidin-2-one

1-[4-[(1S)-1-[(2-ethoxy-3-pyridinyl)methylamino]ethyl]phenyl]pyrrolidin-2-one (PubChem CID 97229902) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[4-[(1S)-1-[(2-ethoxy-3-pyridinyl)methylamino]ethyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(1S)-1-[(2-ethoxy-3-pyridinyl)methylamino]ethyl]phenyl]pyrrolidin-2-one
PubChem CID97229902
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[4-[(1S)-1-[(2-ethoxy-3-pyridinyl)methylamino]ethyl]phenyl]pyrrolidin-2-one
SMILESCCOc1ncccc1CN[C@@H](C)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H25N3O2/c1-3-25-20-17(6-4-12-21-20)14-22-15(2)16-8-10-18(11-9-16)23-13-5-7-19(23)24/h4,6,8-12,15,22H,3,5,7,13-14H2,1-2H3/t15-/m0/s1
InChIKeySPGZKHPZXILCDO-HNNXBMFYSA-N
XLogP3.46
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(1S)-1-[(2-ethoxy-3-pyridinyl)methylamino]ethyl]phenyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 97308672
1-[4-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one;hydrochloride
CID 56820141
1-[4-[(1R)-1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 97333778
1-[4-[1-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 48826332
1-[(2-methoxy-3-pyridinyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 86987743
4-(2-oxopiperidin-1-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide
CID 55614012
1-[4-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 84598087
1-[4-[(1S)-1-[(4-cyclopropyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 97103499
1-[4-(1-pyridin-4-ylethylamino)phenyl]pyrrolidin-2-one
CID 43679644
1-[4-[(1S)-1-(3-imidazol-1-ylpropylamino)ethyl]phenyl]pyrrolidin-2-one
CID 97228964
1-[4-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 48826366
N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62290832

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S)-1-[(2-ethoxy-3-pyridinyl)methylamino]ethyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(1S)-1-[(2-ethoxy-3-pyridinyl)methylamino]ethyl]phenyl]pyrrolidin-2-one (CID 97229902) is 1-[4-[(1S)-1-[(2-ethoxy-3-pyridinyl)methylamino]ethyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(1S)-1-[(2-ethoxy-3-pyridinyl)methylamino]ethyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(1S)-1-[(2-ethoxy-3-pyridinyl)methylamino]ethyl]phenyl]pyrrolidin-2-one is CCOc1ncccc1CN[C@@H](C)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-[(1S)-1-[(2-ethoxy-3-pyridinyl)methylamino]ethyl]phenyl]pyrrolidin-2-one?
The InChIKey is SPGZKHPZXILCDO-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-25-20-17(6-4-12-21-20)14-22-15(2)16-8-10-18(11-9-16)23-13-5-7-19(23)24/h4,6,8-12,15,22H,3,5,7,13-14H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[4-[(1S)-1-[(2-ethoxy-3-pyridinyl)methylamino]ethyl]phenyl]pyrrolidin-2-one?
1-[4-[(1S)-1-[(2-ethoxy-3-pyridinyl)methylamino]ethyl]phenyl]pyrrolidin-2-one has a molecular weight of 339.44 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S)-1-[(2-ethoxy-3-pyridinyl)methylamino]ethyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 97229902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).