1-methyl-4-[4-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one

C21H25N5O4S — CID 110214414

IUPAC1-methyl-4-[4-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCN1CC(C(=O)N2CCC(c3nc(-c4ccccn4)ncc3S(C)(=O)=O)CC2)CC1=O
InChIInChI=1S/C21H25N5O4S/c1-25-13-15(11-18(25)27)21(28)26-9-6-14(7-10-26)19-17(31(2,29)30)12-23-20(24-19)16-5-3-4-8-22-16/h3-5,8,12,14-15H,6-7,9-11,13H2,1-2H3
InChIKeyNMZTWBYYVDTTLF-UHFFFAOYSA-N
MW443.53 g/mol
LogP1.13
Rot. Bonds4

About 1-methyl-4-[4-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one

1-methyl-4-[4-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 110214414) has the molecular formula C21H25N5O4S and a molecular weight of 443.53 g/mol. Its IUPAC name is 1-methyl-4-[4-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-4-[4-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID110214414
Molecular FormulaC21H25N5O4S
Molecular Weight443.53 g/mol
Exact Mass443.16
IUPAC Name1-methyl-4-[4-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCN1CC(C(=O)N2CCC(c3nc(-c4ccccn4)ncc3S(C)(=O)=O)CC2)CC1=O
InChIInChI=1S/C21H25N5O4S/c1-25-13-15(11-18(25)27)21(28)26-9-6-14(7-10-26)19-17(31(2,29)30)12-23-20(24-19)16-5-3-4-8-22-16/h3-5,8,12,14-15H,6-7,9-11,13H2,1-2H3
InChIKeyNMZTWBYYVDTTLF-UHFFFAOYSA-N
XLogP1.13
TPSA113.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-methyl-4-[4-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

[3-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 110214384
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CID 92566407
(4S)-1-methyl-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 97104979
1-(2-methoxyethyl)-4-[4-(3-methylsulfonyl-2-pyridinyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 46954952
[(2R)-oxolan-2-yl]-[4-(4-propan-2-yl-2-pyridin-2-ylpyrimidin-5-yl)sulfonylpiperazin-1-yl]methanone
CID 92580696
(4R)-1-methyl-4-[4-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 92621672
1-methyl-4-(3-pyridin-2-yloxyazetidine-1-carbonyl)pyrrolidin-2-one
CID 122247283
1-methyl-4-(4-quinoxalin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 90560043
(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 51937420
(4S)-1-methyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95278838
[(1S)-cyclohex-3-en-1-yl]-[4-[2-(4-methylpiperazin-1-yl)-5-methylsulfonylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 92608707
[4-(5-methylsulfonyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-methyl-4-[4-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 110214414) is 1-methyl-4-[4-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-4-[4-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-4-[4-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one is CN1CC(C(=O)N2CCC(c3nc(-c4ccccn4)ncc3S(C)(=O)=O)CC2)CC1=O.
What is the InChIKey of 1-methyl-4-[4-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is NMZTWBYYVDTTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4S/c1-25-13-15(11-18(25)27)21(28)26-9-6-14(7-10-26)19-17(31(2,29)30)12-23-20(24-19)16-5-3-4-8-22-16/h3-5,8,12,14-15H,6-7,9-11,13H2,1-2H3.
What are the key properties of 1-methyl-4-[4-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
1-methyl-4-[4-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 443.53 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 110214414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).