4-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-ethylpyridin-2-one

C17H27N3O2 — CID 72902347

IUPAC4-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-ethylpyridin-2-one
SMILESCCn1ccc(C(=O)N2C[C@@H](N(C)C)[C@H](C(C)C)C2)cc1=O
InChIInChI=1S/C17H27N3O2/c1-6-19-8-7-13(9-16(19)21)17(22)20-10-14(12(2)3)15(11-20)18(4)5/h7-9,12,14-15H,6,10-11H2,1-5H3/t14-,15+/m0/s1
InChIKeyMUGLDMJWBZLCRZ-LSDHHAIUSA-N
MW305.42 g/mol
LogP1.53
Rot. Bonds4

About 4-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-ethylpyridin-2-one

4-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-ethylpyridin-2-one (PubChem CID 72902347) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-ethylpyridin-2-one.

Molecular Properties

Compound Name4-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-ethylpyridin-2-one
PubChem CID72902347
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name4-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-ethylpyridin-2-one
SMILESCCn1ccc(C(=O)N2C[C@@H](N(C)C)[C@H](C(C)C)C2)cc1=O
InChIInChI=1S/C17H27N3O2/c1-6-19-8-7-13(9-16(19)21)17(22)20-10-14(12(2)3)15(11-20)18(4)5/h7-9,12,14-15H,6,10-11H2,1-5H3/t14-,15+/m0/s1
InChIKeyMUGLDMJWBZLCRZ-LSDHHAIUSA-N
XLogP1.53
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4R)-1-(1-ethyl-2-oxopyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
CID 70722712
4-[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]benzonitrile
CID 72895460
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 72919853
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(1H-indol-6-yl)methanone
CID 72848895
4-(azocane-1-carbonyl)-1-ethylpyridin-2-one
CID 74249419
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 72900733
1-ethyl-4-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridin-2-one
CID 138387519
4-[3-(4-aminopiperidin-1-yl)pyrrolidine-1-carbonyl]-1-ethylpyridin-2-one
CID 167804541
1-ethyl-4-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]pyridin-2-one
CID 138380813
1-ethyl-4-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one
CID 96575454
4-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidine-1-carbonyl]-1-ethylpyridin-2-one
CID 70707207
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 72936361

Frequently Asked Questions

What is the IUPAC name of 4-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-ethylpyridin-2-one?
The IUPAC name of 4-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-ethylpyridin-2-one (CID 72902347) is 4-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-ethylpyridin-2-one.
What is the SMILES notation for 4-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-ethylpyridin-2-one?
The canonical SMILES for 4-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-ethylpyridin-2-one is CCn1ccc(C(=O)N2C[C@@H](N(C)C)[C@H](C(C)C)C2)cc1=O.
What is the InChIKey of 4-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-ethylpyridin-2-one?
The InChIKey is MUGLDMJWBZLCRZ-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-6-19-8-7-13(9-16(19)21)17(22)20-10-14(12(2)3)15(11-20)18(4)5/h7-9,12,14-15H,6,10-11H2,1-5H3/t14-,15+/m0/s1.
What are the key properties of 4-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-ethylpyridin-2-one?
4-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-ethylpyridin-2-one has a molecular weight of 305.42 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-ethylpyridin-2-one is sourced from PubChem (CID 72902347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).