2-hydroxy-N-[[5-[2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide

C17H16N4O3S2 — CID 168950862

IUPAC2-hydroxy-N-[[5-[2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide
SMILESCc1nc(SCC(=O)c2ccc(CNC(=O)CO)s2)c2cccnc2n1
InChIInChI=1S/C17H16N4O3S2/c1-10-20-16-12(3-2-6-18-16)17(21-10)25-9-13(23)14-5-4-11(26-14)7-19-15(24)8-22/h2-6,22H,7-9H2,1H3,(H,19,24)
InChIKeyPYJMBHUSIMLHFZ-UHFFFAOYSA-N
MW388.47 g/mol
LogP1.98
Rot. Bonds7

About 2-hydroxy-N-[[5-[2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide

2-hydroxy-N-[[5-[2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide (PubChem CID 168950862) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-hydroxy-N-[[5-[2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[[5-[2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide
PubChem CID168950862
Molecular FormulaC17H16N4O3S2
Molecular Weight388.47 g/mol
Exact Mass388.07
IUPAC Name2-hydroxy-N-[[5-[2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide
SMILESCc1nc(SCC(=O)c2ccc(CNC(=O)CO)s2)c2cccnc2n1
InChIInChI=1S/C17H16N4O3S2/c1-10-20-16-12(3-2-6-18-16)17(21-10)25-9-13(23)14-5-4-11(26-14)7-19-15(24)8-22/h2-6,22H,7-9H2,1H3,(H,19,24)
InChIKeyPYJMBHUSIMLHFZ-UHFFFAOYSA-N
XLogP1.98
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[[5-[2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of 2-hydroxy-N-[[5-[2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide (CID 168950862) is 2-hydroxy-N-[[5-[2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[[5-[2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for 2-hydroxy-N-[[5-[2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide is Cc1nc(SCC(=O)c2ccc(CNC(=O)CO)s2)c2cccnc2n1.
What is the InChIKey of 2-hydroxy-N-[[5-[2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is PYJMBHUSIMLHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c1-10-20-16-12(3-2-6-18-16)17(21-10)25-9-13(23)14-5-4-11(26-14)7-19-15(24)8-22/h2-6,22H,7-9H2,1H3,(H,19,24).
What are the key properties of 2-hydroxy-N-[[5-[2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide?
2-hydroxy-N-[[5-[2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 388.47 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[[5-[2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 168950862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).