4-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-2-thiophen-2-yl-1H-pyrimidin-6-one

C20H23N5OS — CID 136766199

IUPAC4-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-2-thiophen-2-yl-1H-pyrimidin-6-one
SMILESCNc1ncccc1CN1CCCC(c2cc(=O)[nH]c(-c3cccs3)n2)C1
InChIInChI=1S/C20H23N5OS/c1-21-19-15(5-2-8-22-19)13-25-9-3-6-14(12-25)16-11-18(26)24-20(23-16)17-7-4-10-27-17/h2,4-5,7-8,10-11,14H,3,6,9,12-13H2,1H3,(H,21,22)(H,23,24,26)
InChIKeyVHNUXGQUTJGPOA-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.31
Rot. Bonds5

About 4-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-2-thiophen-2-yl-1H-pyrimidin-6-one

4-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-2-thiophen-2-yl-1H-pyrimidin-6-one (PubChem CID 136766199) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 4-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-2-thiophen-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-2-thiophen-2-yl-1H-pyrimidin-6-one
PubChem CID136766199
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name4-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-2-thiophen-2-yl-1H-pyrimidin-6-one
SMILESCNc1ncccc1CN1CCCC(c2cc(=O)[nH]c(-c3cccs3)n2)C1
InChIInChI=1S/C20H23N5OS/c1-21-19-15(5-2-8-22-19)13-25-9-3-6-14(12-25)16-11-18(26)24-20(23-16)17-7-4-10-27-17/h2,4-5,7-8,10-11,14H,3,6,9,12-13H2,1H3,(H,21,22)(H,23,24,26)
InChIKeyVHNUXGQUTJGPOA-UHFFFAOYSA-N
XLogP3.31
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-2-thiophen-2-yl-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-2-thiophen-2-yl-1H-pyrimidin-6-one
CID 136766179
4-(1-methylpiperidin-3-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one
CID 135876465
2-pyridin-4-yl-4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136673491
2-[(3R)-1-[[2-(methylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one
CID 136869448
2-pyridin-3-yl-4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136673524
N-methyl-3-[[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methyl]pyridin-2-amine
CID 95846016
N-methyl-3-[[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]pyridin-2-amine
CID 125003912
3-[[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-N-methylpyridin-2-amine
CID 125025982
2-pyridin-2-yl-4-[(3S)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136673596
2-pyridin-2-yl-4-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136765795
4-[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136858529
4-[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136765812

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-2-thiophen-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-2-thiophen-2-yl-1H-pyrimidin-6-one (CID 136766199) is 4-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-2-thiophen-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-2-thiophen-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-2-thiophen-2-yl-1H-pyrimidin-6-one is CNc1ncccc1CN1CCCC(c2cc(=O)[nH]c(-c3cccs3)n2)C1.
What is the InChIKey of 4-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-2-thiophen-2-yl-1H-pyrimidin-6-one?
The InChIKey is VHNUXGQUTJGPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-21-19-15(5-2-8-22-19)13-25-9-3-6-14(12-25)16-11-18(26)24-20(23-16)17-7-4-10-27-17/h2,4-5,7-8,10-11,14H,3,6,9,12-13H2,1H3,(H,21,22)(H,23,24,26).
What are the key properties of 4-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-2-thiophen-2-yl-1H-pyrimidin-6-one?
4-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-2-thiophen-2-yl-1H-pyrimidin-6-one has a molecular weight of 381.51 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-2-thiophen-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136766199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).