N-(2-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide

C21H16FN5O2S — CID 20879243

IUPACN-(2-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc2ncccc2c(=O)n1Cc1cccnc1)Nc1ccccc1F
InChIInChI=1S/C21H16FN5O2S/c22-16-7-1-2-8-17(16)25-18(28)13-30-21-26-19-15(6-4-10-24-19)20(29)27(21)12-14-5-3-9-23-11-14/h1-11H,12-13H2,(H,25,28)
InChIKeyYSJLJMRHVUNHAK-UHFFFAOYSA-N
MW421.46 g/mol
LogP3.10
Rot. Bonds6

About N-(2-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide

N-(2-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide (PubChem CID 20879243) has the molecular formula C21H16FN5O2S and a molecular weight of 421.46 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
PubChem CID20879243
Molecular FormulaC21H16FN5O2S
Molecular Weight421.46 g/mol
Exact Mass421.10
IUPAC NameN-(2-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc2ncccc2c(=O)n1Cc1cccnc1)Nc1ccccc1F
InChIInChI=1S/C21H16FN5O2S/c22-16-7-1-2-8-17(16)25-18(28)13-30-21-26-19-15(6-4-10-24-19)20(29)27(21)12-14-5-3-9-23-11-14/h1-11H,12-13H2,(H,25,28)
InChIKeyYSJLJMRHVUNHAK-UHFFFAOYSA-N
XLogP3.10
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 20879157
N-(2-fluorophenyl)-2-[[2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
CID 30677765
2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 46397017
N-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxopteridin-2-yl]sulfanylacetamide
CID 22518420
2-[(5-benzyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-4-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 50771031
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 4012996
2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 27947366
N-(2-methylphenyl)-2-(4-oxo-3-prop-2-enylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 38836190
2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 4667582
N-[(3-chlorophenyl)methyl]-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide
CID 55391390
2-[(5-benzyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-4-yl)sulfanyl]-N-(2-methylphenyl)acetamide
CID 27374102
N-(2-fluorophenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7713171

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide (CID 20879243) is N-(2-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide is O=C(CSc1nc2ncccc2c(=O)n1Cc1cccnc1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is YSJLJMRHVUNHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2S/c22-16-7-1-2-8-17(16)25-18(28)13-30-21-26-19-15(6-4-10-24-19)20(29)27(21)12-14-5-3-9-23-11-14/h1-11H,12-13H2,(H,25,28).
What are the key properties of N-(2-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide?
N-(2-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 421.46 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 20879243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).