3-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one

C16H25N3O2 — CID 72857027

IUPAC3-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCCC[C@@H]1CN(C(=O)c2ccc(C)[nH]c2=O)C[C@H]1N(C)C
InChIInChI=1S/C16H25N3O2/c1-5-6-12-9-19(10-14(12)18(3)4)16(21)13-8-7-11(2)17-15(13)20/h7-8,12,14H,5-6,9-10H2,1-4H3,(H,17,20)/t12-,14-/m1/s1
InChIKeyAGRSVVXMRDDHEK-TZMCWYRMSA-N
MW291.39 g/mol
LogP1.49
Rot. Bonds4

About 3-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one

3-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (PubChem CID 72857027) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
PubChem CID72857027
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCCC[C@@H]1CN(C(=O)c2ccc(C)[nH]c2=O)C[C@H]1N(C)C
InChIInChI=1S/C16H25N3O2/c1-5-6-12-9-19(10-14(12)18(3)4)16(21)13-8-7-11(2)17-15(13)20/h7-8,12,14H,5-6,9-10H2,1-4H3,(H,17,20)/t12-,14-/m1/s1
InChIKeyAGRSVVXMRDDHEK-TZMCWYRMSA-N
XLogP1.49
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-azaspiro[4.5]decane-2-carbonyl)-6-methyl-1H-pyridin-2-one
CID 71873414
6-methyl-2-oxo-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyridine-3-carboxamide
CID 72046979
6-methyl-2-oxo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyridine-3-carboxamide
CID 72048707
1,6-dimethyl-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-2-oxopyridine-3-carboxamide
CID 72862071
1-[3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 72887547
N-[(3R,4S)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-1,6-dimethyl-2-oxopyridine-3-carboxamide
CID 72937042
N-[(2S)-1-[ethyl-(2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 97099333
N-[(3R,4S)-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 164630548
N-[(3R,4S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
CID 72837354
3-[4-(aminomethyl)-2-methylpyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride
CID 120016849
3-[4-(aminomethyl)-2-methylpyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 120016850
N-((3R*,4S*)-1-{[2-hydroxy-6-(trifluoromethyl)-3-pyridinyl]carbonyl}-4-isopropyl-3-pyrrolidinyl)acetamide
CID 133126458

Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (CID 72857027) is 3-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is CCC[C@@H]1CN(C(=O)c2ccc(C)[nH]c2=O)C[C@H]1N(C)C.
What is the InChIKey of 3-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is AGRSVVXMRDDHEK-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-6-12-9-19(10-14(12)18(3)4)16(21)13-8-7-11(2)17-15(13)20/h7-8,12,14H,5-6,9-10H2,1-4H3,(H,17,20)/t12-,14-/m1/s1.
What are the key properties of 3-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
3-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 291.39 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 72857027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).