[3-(6-ethyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamic acid

C17H16N4O3S — CID 90373919

IUPAC[3-(6-ethyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamic acid
SMILESCCc1cc2cnc(SC)nc2n(-c2cccc(NC(=O)O)c2)c1=O
InChIInChI=1S/C17H16N4O3S/c1-3-10-7-11-9-18-16(25-2)20-14(11)21(15(10)22)13-6-4-5-12(8-13)19-17(23)24/h4-9,19H,3H2,1-2H3,(H,23,24)
InChIKeyZVYYGQLNBNHQNR-UHFFFAOYSA-N
MW356.41 g/mol
LogP3.15
Rot. Bonds4

About [3-(6-ethyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamic acid

[3-(6-ethyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamic acid (PubChem CID 90373919) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is [3-(6-ethyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamic acid.

Molecular Properties

Compound Name[3-(6-ethyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamic acid
PubChem CID90373919
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name[3-(6-ethyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamic acid
SMILESCCc1cc2cnc(SC)nc2n(-c2cccc(NC(=O)O)c2)c1=O
InChIInChI=1S/C17H16N4O3S/c1-3-10-7-11-9-18-16(25-2)20-14(11)21(15(10)22)13-6-4-5-12(8-13)19-17(23)24/h4-9,19H,3H2,1-2H3,(H,23,24)
InChIKeyZVYYGQLNBNHQNR-UHFFFAOYSA-N
XLogP3.15
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(6-ethyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamic acid?
The IUPAC name of [3-(6-ethyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamic acid (CID 90373919) is [3-(6-ethyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamic acid.
What is the SMILES notation for [3-(6-ethyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamic acid?
The canonical SMILES for [3-(6-ethyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamic acid is CCc1cc2cnc(SC)nc2n(-c2cccc(NC(=O)O)c2)c1=O.
What is the InChIKey of [3-(6-ethyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamic acid?
The InChIKey is ZVYYGQLNBNHQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-3-10-7-11-9-18-16(25-2)20-14(11)21(15(10)22)13-6-4-5-12(8-13)19-17(23)24/h4-9,19H,3H2,1-2H3,(H,23,24).
What are the key properties of [3-(6-ethyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamic acid?
[3-(6-ethyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamic acid has a molecular weight of 356.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-ethyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamic acid is sourced from PubChem (CID 90373919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).