1-[2-[(2R)-2-pyridin-2-ylpyrrolidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione

C20H20N4O3 — CID 95874922

IUPAC1-[2-[(2R)-2-pyridin-2-ylpyrrolidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccccc2C(=O)N2CCC[C@@H]2c2ccccn2)C(=O)N1
InChIInChI=1S/C20H20N4O3/c25-18-10-13-24(20(27)22-18)16-8-2-1-6-14(16)19(26)23-12-5-9-17(23)15-7-3-4-11-21-15/h1-4,6-8,11,17H,5,9-10,12-13H2,(H,22,25,27)/t17-/m1/s1
InChIKeyVBSOVJVNNRJDPL-QGZVFWFLSA-N
MW364.41 g/mol
LogP2.51
Rot. Bonds3

About 1-[2-[(2R)-2-pyridin-2-ylpyrrolidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione

1-[2-[(2R)-2-pyridin-2-ylpyrrolidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione (PubChem CID 95874922) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-[2-[(2R)-2-pyridin-2-ylpyrrolidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[2-[(2R)-2-pyridin-2-ylpyrrolidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
PubChem CID95874922
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1-[2-[(2R)-2-pyridin-2-ylpyrrolidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccccc2C(=O)N2CCC[C@@H]2c2ccccn2)C(=O)N1
InChIInChI=1S/C20H20N4O3/c25-18-10-13-24(20(27)22-18)16-8-2-1-6-14(16)19(26)23-12-5-9-17(23)15-7-3-4-11-21-15/h1-4,6-8,11,17H,5,9-10,12-13H2,(H,22,25,27)/t17-/m1/s1
InChIKeyVBSOVJVNNRJDPL-QGZVFWFLSA-N
XLogP2.51
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(2R)-2-pyridin-2-ylpyrrolidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

3-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 47380030
1-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
CID 99929713
[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 95720181
(2-pyridin-2-ylpyrrolidin-1-yl)-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 56895640
(2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 94803151
1-[2-[(4aR,8aR)-6-(3-phenylpropanoyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
CID 56857600
(3-phenyltriazol-4-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56873523
(3-amino-4-chloro-1H-pyrazol-5-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone
CID 77084225
6-fluoro-3-[(2S)-2-pyridin-2-ylpyrrolidine-1-carbonyl]-1H-quinolin-4-one
CID 95867221
(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56875753
6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 95871248
2-(dimethylamino)-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone
CID 73440457

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-2-pyridin-2-ylpyrrolidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[2-[(2R)-2-pyridin-2-ylpyrrolidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione (CID 95874922) is 1-[2-[(2R)-2-pyridin-2-ylpyrrolidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[2-[(2R)-2-pyridin-2-ylpyrrolidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[2-[(2R)-2-pyridin-2-ylpyrrolidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione is O=C1CCN(c2ccccc2C(=O)N2CCC[C@@H]2c2ccccn2)C(=O)N1.
What is the InChIKey of 1-[2-[(2R)-2-pyridin-2-ylpyrrolidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is VBSOVJVNNRJDPL-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-18-10-13-24(20(27)22-18)16-8-2-1-6-14(16)19(26)23-12-5-9-17(23)15-7-3-4-11-21-15/h1-4,6-8,11,17H,5,9-10,12-13H2,(H,22,25,27)/t17-/m1/s1.
What are the key properties of 1-[2-[(2R)-2-pyridin-2-ylpyrrolidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione?
1-[2-[(2R)-2-pyridin-2-ylpyrrolidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 364.41 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-2-pyridin-2-ylpyrrolidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 95874922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).