6-(2,2-dimethylpyrrolidin-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one

C16H25N3O2 — CID 175079373

IUPAC6-(2,2-dimethylpyrrolidin-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one
SMILESC[C@@H]1COCCN1c1cc(N2CCCC2(C)C)[nH]c(=O)c1
InChIInChI=1S/C16H25N3O2/c1-12-11-21-8-7-18(12)13-9-14(17-15(20)10-13)19-6-4-5-16(19,2)3/h9-10,12H,4-8,11H2,1-3H3,(H,17,20)/t12-/m1/s1
InChIKeyHCCSJRCUYBWVRG-GFCCVEGCSA-N
MW291.39 g/mol
LogP1.98
Rot. Bonds2

About 6-(2,2-dimethylpyrrolidin-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one

6-(2,2-dimethylpyrrolidin-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one (PubChem CID 175079373) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 6-(2,2-dimethylpyrrolidin-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(2,2-dimethylpyrrolidin-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one
PubChem CID175079373
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name6-(2,2-dimethylpyrrolidin-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one
SMILESC[C@@H]1COCCN1c1cc(N2CCCC2(C)C)[nH]c(=O)c1
InChIInChI=1S/C16H25N3O2/c1-12-11-21-8-7-18(12)13-9-14(17-15(20)10-13)19-6-4-5-16(19,2)3/h9-10,12H,4-8,11H2,1-3H3,(H,17,20)/t12-/m1/s1
InChIKeyHCCSJRCUYBWVRG-GFCCVEGCSA-N
XLogP1.98
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpyrrolidin-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 6-(2,2-dimethylpyrrolidin-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one (CID 175079373) is 6-(2,2-dimethylpyrrolidin-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-(2,2-dimethylpyrrolidin-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-(2,2-dimethylpyrrolidin-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one is C[C@@H]1COCCN1c1cc(N2CCCC2(C)C)[nH]c(=O)c1.
What is the InChIKey of 6-(2,2-dimethylpyrrolidin-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one?
The InChIKey is HCCSJRCUYBWVRG-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-11-21-8-7-18(12)13-9-14(17-15(20)10-13)19-6-4-5-16(19,2)3/h9-10,12H,4-8,11H2,1-3H3,(H,17,20)/t12-/m1/s1.
What are the key properties of 6-(2,2-dimethylpyrrolidin-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one?
6-(2,2-dimethylpyrrolidin-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one has a molecular weight of 291.39 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpyrrolidin-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 175079373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).