2-[[1-(benzenesulfonyl)piperidin-3-yl]-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

C23H27N5O3S — CID 59576918

IUPAC2-[[1-(benzenesulfonyl)piperidin-3-yl]-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCCN(c1nc(-c2ccncc2)cc(=O)n1C)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C23H27N5O3S/c1-3-28(23-25-21(16-22(29)26(23)2)18-11-13-24-14-12-18)19-8-7-15-27(17-19)32(30,31)20-9-5-4-6-10-20/h4-6,9-14,16,19H,3,7-8,15,17H2,1-2H3
InChIKeyINZZLDFMTFROBM-UHFFFAOYSA-N
MW453.57 g/mol
LogP2.52
Rot. Bonds6

About 2-[[1-(benzenesulfonyl)piperidin-3-yl]-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

2-[[1-(benzenesulfonyl)piperidin-3-yl]-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 59576918) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is 2-[[1-(benzenesulfonyl)piperidin-3-yl]-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[[1-(benzenesulfonyl)piperidin-3-yl]-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID59576918
Molecular FormulaC23H27N5O3S
Molecular Weight453.57 g/mol
Exact Mass453.18
IUPAC Name2-[[1-(benzenesulfonyl)piperidin-3-yl]-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCCN(c1nc(-c2ccncc2)cc(=O)n1C)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C23H27N5O3S/c1-3-28(23-25-21(16-22(29)26(23)2)18-11-13-24-14-12-18)19-8-7-15-27(17-19)32(30,31)20-9-5-4-6-10-20/h4-6,9-14,16,19H,3,7-8,15,17H2,1-2H3
InChIKeyINZZLDFMTFROBM-UHFFFAOYSA-N
XLogP2.52
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[1-(benzenesulfonyl)piperidin-3-yl]-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethyl-[1-(2-phenylacetyl)piperidin-3-yl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 59576981
2-[(1-benzylpiperidin-4-yl)-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 24798111
2-[(5R)-3-(benzenesulfonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 71129052
N'-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 26326227
(3R)-1-(benzenesulfonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine
CID 42521946
2-[ethyl-[2-[ethyl(pyrimidin-2-yl)amino]ethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 143560817
N-[3-[methyl-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]heptyl]-1-phenylmethanesulfonamide
CID 163713963
2-[ethyl(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 143560840
(3S)-1-(benzenesulfonyl)-N,N-dimethylpyrrolidin-3-amine
CID 141202657
1-(benzenesulfonyl)-3-(chloromethyl)piperidine
CID 63397663
3-methyl-2-(3-phenylmethoxypyrrolidin-1-yl)-6-pyridin-4-ylpyrimidin-4-one
CID 25002829
1-(benzenesulfonyl)-N-cyclohexyl-N-methylpiperidine-3-carboxamide
CID 134025371

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(benzenesulfonyl)piperidin-3-yl]-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[[1-(benzenesulfonyl)piperidin-3-yl]-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 59576918) is 2-[[1-(benzenesulfonyl)piperidin-3-yl]-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[[1-(benzenesulfonyl)piperidin-3-yl]-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[[1-(benzenesulfonyl)piperidin-3-yl]-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is CCN(c1nc(-c2ccncc2)cc(=O)n1C)C1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 2-[[1-(benzenesulfonyl)piperidin-3-yl]-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is INZZLDFMTFROBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3S/c1-3-28(23-25-21(16-22(29)26(23)2)18-11-13-24-14-12-18)19-8-7-15-27(17-19)32(30,31)20-9-5-4-6-10-20/h4-6,9-14,16,19H,3,7-8,15,17H2,1-2H3.
What are the key properties of 2-[[1-(benzenesulfonyl)piperidin-3-yl]-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
2-[[1-(benzenesulfonyl)piperidin-3-yl]-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 453.57 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(benzenesulfonyl)piperidin-3-yl]-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 59576918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).