N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide

C21H22FN5O5S — CID 55451645

IUPACN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCn1c(=O)c2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cnc2n(C)c1=O
InChIInChI=1S/C21H22FN5O5S/c1-25-18-17(20(29)26(2)21(25)30)11-15(12-23-18)24-19(28)13-7-9-27(10-8-13)33(31,32)16-5-3-14(22)4-6-16/h3-6,11-13H,7-10H2,1-2H3,(H,24,28)
InChIKeyYFILUJMDOBHFEJ-UHFFFAOYSA-N
MW475.50 g/mol
LogP0.81
Rot. Bonds4

About N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 55451645) has the molecular formula C21H22FN5O5S and a molecular weight of 475.50 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID55451645
Molecular FormulaC21H22FN5O5S
Molecular Weight475.50 g/mol
Exact Mass475.13
IUPAC NameN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCn1c(=O)c2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cnc2n(C)c1=O
InChIInChI=1S/C21H22FN5O5S/c1-25-18-17(20(29)26(2)21(25)30)11-15(12-23-18)24-19(28)13-7-9-27(10-8-13)33(31,32)16-5-3-14(22)4-6-16/h3-6,11-13H,7-10H2,1-2H3,(H,24,28)
InChIKeyYFILUJMDOBHFEJ-UHFFFAOYSA-N
XLogP0.81
TPSA123.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55456695
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55457232
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55457643
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55526743
1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide
CID 24687006
1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 1078408
N-(4-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 4205224
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 1077650
N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327593
1-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 1327450
N-(4-chloro-3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55796487
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)piperidine-2-carboxamide
CID 119837919

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 55451645) is N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is Cn1c(=O)c2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cnc2n(C)c1=O.
What is the InChIKey of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is YFILUJMDOBHFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O5S/c1-25-18-17(20(29)26(2)21(25)30)11-15(12-23-18)24-19(28)13-7-9-27(10-8-13)33(31,32)16-5-3-14(22)4-6-16/h3-6,11-13H,7-10H2,1-2H3,(H,24,28).
What are the key properties of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 475.50 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55451645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).