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

C17H25N3O2 — CID 72869855

IUPAC4-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1-ethylpyridin-2-one
SMILESCCn1ccc(C(=O)N2C[C@H](C3CC3)[C@@H](N(C)C)C2)cc1=O
InChIInChI=1S/C17H25N3O2/c1-4-19-8-7-13(9-16(19)21)17(22)20-10-14(12-5-6-12)15(11-20)18(2)3/h7-9,12,14-15H,4-6,10-11H2,1-3H3/t14-,15+/m1/s1
InChIKeyOLCHHLVHKOYPTQ-CABCVRRESA-N
MW303.41 g/mol
LogP1.28
Rot. Bonds4

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

4-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1-ethylpyridin-2-one (PubChem CID 72869855) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1-ethylpyridin-2-one.

Molecular Properties

Compound Name4-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1-ethylpyridin-2-one
PubChem CID72869855
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name4-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1-ethylpyridin-2-one
SMILESCCn1ccc(C(=O)N2C[C@H](C3CC3)[C@@H](N(C)C)C2)cc1=O
InChIInChI=1S/C17H25N3O2/c1-4-19-8-7-13(9-16(19)21)17(22)20-10-14(12-5-6-12)15(11-20)18(2)3/h7-9,12,14-15H,4-6,10-11H2,1-3H3/t14-,15+/m1/s1
InChIKeyOLCHHLVHKOYPTQ-CABCVRRESA-N
XLogP1.28
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1-ethylpyridin-2-one with MolForge

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Related Compounds

1-[3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 72887547
1-[1,4-Di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one
CID 166501057
1-[1,4-Di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one;ethane
CID 167632129
1-[(2R,3S)-2-methyl-1-prop-2-enoylpyrrolidin-3-yl]-5-propan-2-ylpyridin-2-one
CID 176827556
4-[3-(2,5-Dimethylpyrrolidin-1-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 48498425
4-[2-(Cyclohexylmethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 49057286
N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 53577385
1-{2-[(3S*,4R*)-3-(dimethylamino)-4-propyl-1-pyrrolidinyl]-2-oxoethyl}-2(1H)-pyridinone
CID 70739842
3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 72857421
4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one
CID 72863932
N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 72874748
3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 72880310

Frequently Asked Questions

What is the IUPAC name of 4-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1-ethylpyridin-2-one?
The IUPAC name of 4-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1-ethylpyridin-2-one (CID 72869855) is 4-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1-ethylpyridin-2-one.
What is the SMILES notation for 4-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1-ethylpyridin-2-one?
The canonical SMILES for 4-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1-ethylpyridin-2-one is CCn1ccc(C(=O)N2C[C@H](C3CC3)[C@@H](N(C)C)C2)cc1=O.
What is the InChIKey of 4-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1-ethylpyridin-2-one?
The InChIKey is OLCHHLVHKOYPTQ-CABCVRRESA-N. The full InChI is InChI=1S/C17H25N3O2/c1-4-19-8-7-13(9-16(19)21)17(22)20-10-14(12-5-6-12)15(11-20)18(2)3/h7-9,12,14-15H,4-6,10-11H2,1-3H3/t14-,15+/m1/s1.
What are the key properties of 4-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1-ethylpyridin-2-one?
4-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1-ethylpyridin-2-one has a molecular weight of 303.41 g/mol, XLogP of 1.28, 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-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1-ethylpyridin-2-one is sourced from PubChem (CID 72869855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).