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

C19H21N5O5S2 — CID 55456695

IUPACN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCn1c(=O)c2cc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)cnc2n(C)c1=O
InChIInChI=1S/C19H21N5O5S2/c1-22-16-14(18(26)23(2)19(22)27)10-13(11-20-16)21-17(25)12-5-7-24(8-6-12)31(28,29)15-4-3-9-30-15/h3-4,9-12H,5-8H2,1-2H3,(H,21,25)
InChIKeyYJZKAUPPLIOQKQ-UHFFFAOYSA-N
MW463.54 g/mol
LogP0.73
Rot. Bonds4

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

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 55456695) has the molecular formula C19H21N5O5S2 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID55456695
Molecular FormulaC19H21N5O5S2
Molecular Weight463.54 g/mol
Exact Mass463.10
IUPAC NameN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCn1c(=O)c2cc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)cnc2n(C)c1=O
InChIInChI=1S/C19H21N5O5S2/c1-22-16-14(18(26)23(2)19(22)27)10-13(11-20-16)21-17(25)12-5-7-24(8-6-12)31(28,29)15-4-3-9-30-15/h3-4,9-12H,5-8H2,1-2H3,(H,21,25)
InChIKeyYJZKAUPPLIOQKQ-UHFFFAOYSA-N
XLogP0.73
TPSA123.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55451645
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55526743
N-(3,5-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7960898
N-(4-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810583
N-(3-carbamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26665541
N-(4-iodophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2388200
N-(4-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2315676
N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810884
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 38010763
N-(2-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55920459
N-[4-(cyanomethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 9259749
N-(2-hydroxy-4-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 9495613

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 55456695) is N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is Cn1c(=O)c2cc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)cnc2n(C)c1=O.
What is the InChIKey of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is YJZKAUPPLIOQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O5S2/c1-22-16-14(18(26)23(2)19(22)27)10-13(11-20-16)21-17(25)12-5-7-24(8-6-12)31(28,29)15-4-3-9-30-15/h3-4,9-12H,5-8H2,1-2H3,(H,21,25).
What are the key properties of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 9 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-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55456695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).