3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one;hydrochloride

C19H30ClN3O2 — CID 154899380

IUPAC3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one;hydrochloride
SMILESCCc1c(C)cc(C(=O)N2C[C@H](C3CC3)[C@@H](N(C)C)C2)c(=O)n1C.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-6-16-12(2)9-14(18(23)21(16)5)19(24)22-10-15(13-7-8-13)17(11-22)20(3)4;/h9,13,15,17H,6-8,10-11H2,1-5H3;1H/t15-,17+;/m1./s1
InChIKeyDXDULIZSRFWGBD-KALLACGZSA-N
MW367.92 g/mol
LogP2.09
Rot. Bonds4

About 3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one;hydrochloride

3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one;hydrochloride (PubChem CID 154899380) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is 3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one;hydrochloride
PubChem CID154899380
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC Name3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one;hydrochloride
SMILESCCc1c(C)cc(C(=O)N2C[C@H](C3CC3)[C@@H](N(C)C)C2)c(=O)n1C.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-6-16-12(2)9-14(18(23)21(16)5)19(24)22-10-15(13-7-8-13)17(11-22)20(3)4;/h9,13,15,17H,6-8,10-11H2,1-5H3;1H/t15-,17+;/m1./s1
InChIKeyDXDULIZSRFWGBD-KALLACGZSA-N
XLogP2.09
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one;hydrochloride with MolForge

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Related Compounds

1-[(3R,4S)-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 155502095
6-ethyl-3-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-carbonyl]-1,5-dimethylpyridin-2-one
CID 72888481
1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 56867986
6-ethyl-1,5-dimethyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridin-2-one
CID 118790729
6-ethyl-3-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-1,5-dimethylpyridin-2-one
CID 164697429
6-ethyl-1,5-dimethyl-3-[4-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one
CID 72881709
3-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one
CID 155494033
3-[(3aR,4S,6aS)-4-(2-methylphenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one;hydrochloride
CID 171708499
(1R,5S)-3-(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 119067281
3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-6-ethyl-1,5-dimethylpyridin-2-one
CID 56902271
6-ethyl-1,5-dimethyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one
CID 77096988
3-[(4aR,7aS)-1-methyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one
CID 70773007

Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one;hydrochloride?
The IUPAC name of 3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one;hydrochloride (CID 154899380) is 3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one;hydrochloride.
What is the SMILES notation for 3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one;hydrochloride?
The canonical SMILES for 3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one;hydrochloride is CCc1c(C)cc(C(=O)N2C[C@H](C3CC3)[C@@H](N(C)C)C2)c(=O)n1C.Cl.
What is the InChIKey of 3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one;hydrochloride?
The InChIKey is DXDULIZSRFWGBD-KALLACGZSA-N. The full InChI is InChI=1S/C19H29N3O2.ClH/c1-6-16-12(2)9-14(18(23)21(16)5)19(24)22-10-15(13-7-8-13)17(11-22)20(3)4;/h9,13,15,17H,6-8,10-11H2,1-5H3;1H/t15-,17+;/m1./s1.
What are the key properties of 3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one;hydrochloride?
3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one;hydrochloride is sourced from PubChem (CID 154899380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).