N-methyl-3-[[2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzamide

C23H19N5O3S — CID 38834950

IUPACN-methyl-3-[[2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)CSc2nc3ncccc3c(=O)n2-c2ccccc2)c1
InChIInChI=1S/C23H19N5O3S/c1-24-21(30)15-7-5-8-16(13-15)26-19(29)14-32-23-27-20-18(11-6-12-25-20)22(31)28(23)17-9-3-2-4-10-17/h2-13H,14H2,1H3,(H,24,30)(H,26,29)
InChIKeyIEPYNLAORQBDAY-UHFFFAOYSA-N
MW445.50 g/mol
LogP2.87
Rot. Bonds6

About N-methyl-3-[[2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzamide

N-methyl-3-[[2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzamide (PubChem CID 38834950) has the molecular formula C23H19N5O3S and a molecular weight of 445.50 g/mol. Its IUPAC name is N-methyl-3-[[2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzamide
PubChem CID38834950
Molecular FormulaC23H19N5O3S
Molecular Weight445.50 g/mol
Exact Mass445.12
IUPAC NameN-methyl-3-[[2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)CSc2nc3ncccc3c(=O)n2-c2ccccc2)c1
InChIInChI=1S/C23H19N5O3S/c1-24-21(30)15-7-5-8-16(13-15)26-19(29)14-32-23-27-20-18(11-6-12-25-20)22(31)28(23)17-9-3-2-4-10-17/h2-13H,14H2,1H3,(H,24,30)(H,26,29)
InChIKeyIEPYNLAORQBDAY-UHFFFAOYSA-N
XLogP2.87
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 20879263
2-[3-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20879279
3-[[2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-ethylbenzamide
CID 27904652
N-cyclopropyl-2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 17438808
4-[[2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-methylbenzamide
CID 27905509
2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 38834993
2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide
CID 42892624
N-(3-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1273453
N-(3-bromophenyl)-2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3745372
N-cyclopropyl-3-[[2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide
CID 46668571
N-naphthalen-2-yl-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 4666942
N-(3-acetylphenyl)-2-(4-oxo-3-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 33328893

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzamide?
The IUPAC name of N-methyl-3-[[2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzamide (CID 38834950) is N-methyl-3-[[2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzamide is CNC(=O)c1cccc(NC(=O)CSc2nc3ncccc3c(=O)n2-c2ccccc2)c1.
What is the InChIKey of N-methyl-3-[[2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzamide?
The InChIKey is IEPYNLAORQBDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3S/c1-24-21(30)15-7-5-8-16(13-15)26-19(29)14-32-23-27-20-18(11-6-12-25-20)22(31)28(23)17-9-3-2-4-10-17/h2-13H,14H2,1H3,(H,24,30)(H,26,29).
What are the key properties of N-methyl-3-[[2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzamide?
N-methyl-3-[[2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzamide has a molecular weight of 445.50 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 38834950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).