5-[4-fluoro-1-[(3-methyl-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-N,6-dimethylpyridine-2-carboxamide

C21H24FN5O3S — CID 170981357

IUPAC5-[4-fluoro-1-[(3-methyl-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-N,6-dimethylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(C2(F)CCN(Cc3cc4[nH]c(=O)n(C)c(=O)c4s3)CC2)c(C)n1
InChIInChI=1S/C21H24FN5O3S/c1-12-14(4-5-15(24-12)18(28)23-2)21(22)6-8-27(9-7-21)11-13-10-16-17(31-13)19(29)26(3)20(30)25-16/h4-5,10H,6-9,11H2,1-3H3,(H,23,28)(H,25,30)
InChIKeyAFSISHMVGUZQBA-UHFFFAOYSA-N
MW445.52 g/mol
LogP1.81
Rot. Bonds4

About 5-[4-fluoro-1-[(3-methyl-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-N,6-dimethylpyridine-2-carboxamide

5-[4-fluoro-1-[(3-methyl-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-N,6-dimethylpyridine-2-carboxamide (PubChem CID 170981357) has the molecular formula C21H24FN5O3S and a molecular weight of 445.52 g/mol. Its IUPAC name is 5-[4-fluoro-1-[(3-methyl-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-N,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-fluoro-1-[(3-methyl-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-N,6-dimethylpyridine-2-carboxamide
PubChem CID170981357
Molecular FormulaC21H24FN5O3S
Molecular Weight445.52 g/mol
Exact Mass445.16
IUPAC Name5-[4-fluoro-1-[(3-methyl-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-N,6-dimethylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(C2(F)CCN(Cc3cc4[nH]c(=O)n(C)c(=O)c4s3)CC2)c(C)n1
InChIInChI=1S/C21H24FN5O3S/c1-12-14(4-5-15(24-12)18(28)23-2)21(22)6-8-27(9-7-21)11-13-10-16-17(31-13)19(29)26(3)20(30)25-16/h4-5,10H,6-9,11H2,1-3H3,(H,23,28)(H,25,30)
InChIKeyAFSISHMVGUZQBA-UHFFFAOYSA-N
XLogP1.81
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[4-fluoro-1-[(3-methyl-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-N,6-dimethylpyridine-2-carboxamide with MolForge

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Related Compounds

3-fluoro-N-methyl-4-[4-[(3-methyl-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]benzamide
CID 170981151
N,6-dimethyl-5-[4-[(3-methyl-2-oxo-1H-thieno[2,3-b]pyrazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 171484069
5-[4-[[5-(1,2-dihydroxyethyl)-3-methyl-2,4-dioxo-1H-quinazolin-7-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 168957283
N-methyl-5-[4-[(6-methyl-5,7-dioxo-4H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 170981093
N,6-dimethyl-5-[4-[(3-methyl-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 171444818
N,6-dimethyl-5-[4-[(4-oxo-5H-[1,2]thiazolo[5,4-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 172560181
N-ethyl-5-[4-[(5-fluoro-3-methyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide
CID 169102626
5-[4-[(3-ethyl-5-methyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 169102592
5-[4-[(8-fluoro-3-methyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]-3-methylpiperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 168900216
12-[(3-ethyl-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)methyl]-N-methyl-6-oxo-1,7,12-triazatricyclo[8.4.0.02,7]tetradeca-2,4-diene-5-carboxamide
CID 170981398
N,5,6-trimethylpyridine-2-carboxamide
CID 131113985
N,6-dimethyl-5-[4-[(2-methyl-4-oxo-3,5-dihydro-1H-pyrrolo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 172560176

Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-1-[(3-methyl-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-N,6-dimethylpyridine-2-carboxamide?
The IUPAC name of 5-[4-fluoro-1-[(3-methyl-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-N,6-dimethylpyridine-2-carboxamide (CID 170981357) is 5-[4-fluoro-1-[(3-methyl-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-N,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-fluoro-1-[(3-methyl-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-N,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-fluoro-1-[(3-methyl-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-N,6-dimethylpyridine-2-carboxamide is CNC(=O)c1ccc(C2(F)CCN(Cc3cc4[nH]c(=O)n(C)c(=O)c4s3)CC2)c(C)n1.
What is the InChIKey of 5-[4-fluoro-1-[(3-methyl-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-N,6-dimethylpyridine-2-carboxamide?
The InChIKey is AFSISHMVGUZQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O3S/c1-12-14(4-5-15(24-12)18(28)23-2)21(22)6-8-27(9-7-21)11-13-10-16-17(31-13)19(29)26(3)20(30)25-16/h4-5,10H,6-9,11H2,1-3H3,(H,23,28)(H,25,30).
What are the key properties of 5-[4-fluoro-1-[(3-methyl-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-N,6-dimethylpyridine-2-carboxamide?
5-[4-fluoro-1-[(3-methyl-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-N,6-dimethylpyridine-2-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-1-[(3-methyl-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-N,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 170981357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).