4-[3-(diethylamino)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one

C15H23N3O2 — CID 103709456

IUPAC4-[3-(diethylamino)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCCN(CC)C1CCN(C(=O)c2ccn(C)c(=O)c2)C1
InChIInChI=1S/C15H23N3O2/c1-4-17(5-2)13-7-9-18(11-13)15(20)12-6-8-16(3)14(19)10-12/h6,8,10,13H,4-5,7,9,11H2,1-3H3
InChIKeyHCHUVAZSKRCNJE-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.94
Rot. Bonds4

About 4-[3-(diethylamino)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one

4-[3-(diethylamino)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 103709456) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[3-(diethylamino)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[3-(diethylamino)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID103709456
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-[3-(diethylamino)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCCN(CC)C1CCN(C(=O)c2ccn(C)c(=O)c2)C1
InChIInChI=1S/C15H23N3O2/c1-4-17(5-2)13-7-9-18(11-13)15(20)12-6-8-16(3)14(19)10-12/h6,8,10,13H,4-5,7,9,11H2,1-3H3
InChIKeyHCHUVAZSKRCNJE-UHFFFAOYSA-N
XLogP0.94
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(diethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175319
[3-(diethylamino)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 110441497
4-(4-amino-3-methylpiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 113263748
[3-(diethylamino)pyrrolidin-1-yl]-(3-sulfanylphenyl)methanone
CID 107029365
4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 79411364
(3-aminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119843269
[3-(diethylamino)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 110441411
(2-amino-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 55158605
[3-(diethylamino)pyrrolidin-1-yl]-(4-sulfanylphenyl)methanone
CID 107029366
1-methyl-4-[4-(methylamino)piperidine-1-carbonyl]pyridin-2-one
CID 113263745
4-(3-ethoxypiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 47736704
4-[3-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 103793640

Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[3-(diethylamino)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one (CID 103709456) is 4-[3-(diethylamino)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[3-(diethylamino)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[3-(diethylamino)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one is CCN(CC)C1CCN(C(=O)c2ccn(C)c(=O)c2)C1.
What is the InChIKey of 4-[3-(diethylamino)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is HCHUVAZSKRCNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-17(5-2)13-7-9-18(11-13)15(20)12-6-8-16(3)14(19)10-12/h6,8,10,13H,4-5,7,9,11H2,1-3H3.
What are the key properties of 4-[3-(diethylamino)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
4-[3-(diethylamino)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 277.37 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 103709456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).