N-cyclopropyl-2-(4-oxo-3-prop-2-enylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide

C15H16N4O2S — CID 38836120

IUPACN-cyclopropyl-2-(4-oxo-3-prop-2-enylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide
SMILESC=CCn1c(SCC(=O)NC2CC2)nc2ncccc2c1=O
InChIInChI=1S/C15H16N4O2S/c1-2-8-19-14(21)11-4-3-7-16-13(11)18-15(19)22-9-12(20)17-10-5-6-10/h2-4,7,10H,1,5-6,8-9H2,(H,17,20)
InChIKeyOEODPRZAJUJIQT-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.35
Rot. Bonds6

About N-cyclopropyl-2-(4-oxo-3-prop-2-enylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide

N-cyclopropyl-2-(4-oxo-3-prop-2-enylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide (PubChem CID 38836120) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-oxo-3-prop-2-enylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-oxo-3-prop-2-enylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide
PubChem CID38836120
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-cyclopropyl-2-(4-oxo-3-prop-2-enylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide
SMILESC=CCn1c(SCC(=O)NC2CC2)nc2ncccc2c1=O
InChIInChI=1S/C15H16N4O2S/c1-2-8-19-14(21)11-4-3-7-16-13(11)18-15(19)22-9-12(20)17-10-5-6-10/h2-4,7,10H,1,5-6,8-9H2,(H,17,20)
InChIKeyOEODPRZAJUJIQT-UHFFFAOYSA-N
XLogP1.35
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-oxo-3-prop-2-enylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-(4-oxo-3-prop-2-enylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide (CID 38836120) is N-cyclopropyl-2-(4-oxo-3-prop-2-enylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-oxo-3-prop-2-enylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-(4-oxo-3-prop-2-enylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide is C=CCn1c(SCC(=O)NC2CC2)nc2ncccc2c1=O.
What is the InChIKey of N-cyclopropyl-2-(4-oxo-3-prop-2-enylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
The InChIKey is OEODPRZAJUJIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-2-8-19-14(21)11-4-3-7-16-13(11)18-15(19)22-9-12(20)17-10-5-6-10/h2-4,7,10H,1,5-6,8-9H2,(H,17,20).
What are the key properties of N-cyclopropyl-2-(4-oxo-3-prop-2-enylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
N-cyclopropyl-2-(4-oxo-3-prop-2-enylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide has a molecular weight of 316.39 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-oxo-3-prop-2-enylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 38836120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).