4-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one

C21H27N3O2 — CID 125179783

IUPAC4-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one
SMILESCCc1cc(C(=O)N2CCC[C@@H]2c2ccc(CN(C)C)cc2)cc(=O)[nH]1
InChIInChI=1S/C21H27N3O2/c1-4-18-12-17(13-20(25)22-18)21(26)24-11-5-6-19(24)16-9-7-15(8-10-16)14-23(2)3/h7-10,12-13,19H,4-6,11,14H2,1-3H3,(H,22,25)/t19-/m1/s1
InChIKeyZRSSFSKUIJPFRJ-LJQANCHMSA-N
MW353.47 g/mol
LogP2.98
Rot. Bonds5

About 4-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one

4-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one (PubChem CID 125179783) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one
PubChem CID125179783
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one
SMILESCCc1cc(C(=O)N2CCC[C@@H]2c2ccc(CN(C)C)cc2)cc(=O)[nH]1
InChIInChI=1S/C21H27N3O2/c1-4-18-12-17(13-20(25)22-18)21(26)24-11-5-6-19(24)16-9-7-15(8-10-16)14-23(2)3/h7-10,12-13,19H,4-6,11,14H2,1-3H3,(H,22,25)/t19-/m1/s1
InChIKeyZRSSFSKUIJPFRJ-LJQANCHMSA-N
XLogP2.98
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 97190267
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 70709336
4-[2-[4-[(dimethylamino)methyl]phenyl]piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 70719498
4-[(2S)-2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 164635502
4-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one
CID 131894796
(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone
CID 126436777
5-[3-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one
CID 118772835
5-[3-[(2S)-2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one
CID 125168640
(4-ethylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939220
(3-amino-4-chloro-1H-pyrazol-5-yl)-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]methanone
CID 77098141
(3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone
CID 176500830
1-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-2-(2H-tetrazol-5-yl)ethanone
CID 56758889

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one?
The IUPAC name of 4-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one (CID 125179783) is 4-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one.
What is the SMILES notation for 4-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one?
The canonical SMILES for 4-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one is CCc1cc(C(=O)N2CCC[C@@H]2c2ccc(CN(C)C)cc2)cc(=O)[nH]1.
What is the InChIKey of 4-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one?
The InChIKey is ZRSSFSKUIJPFRJ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-4-18-12-17(13-20(25)22-18)21(26)24-11-5-6-19(24)16-9-7-15(8-10-16)14-23(2)3/h7-10,12-13,19H,4-6,11,14H2,1-3H3,(H,22,25)/t19-/m1/s1.
What are the key properties of 4-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one?
4-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one has a molecular weight of 353.47 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one is sourced from PubChem (CID 125179783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).