2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide

C20H22N4O3S — CID 42892342

IUPAC2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
SMILESCOCCn1c(SCC(=O)NC(C)c2ccccc2)nc2ncccc2c1=O
InChIInChI=1S/C20H22N4O3S/c1-14(15-7-4-3-5-8-15)22-17(25)13-28-20-23-18-16(9-6-10-21-18)19(26)24(20)11-12-27-2/h3-10,14H,11-13H2,1-2H3,(H,22,25)
InChIKeyPNRBXNWHJKAXQW-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.41
Rot. Bonds8

About 2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide

2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide (PubChem CID 42892342) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
PubChem CID42892342
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
SMILESCOCCn1c(SCC(=O)NC(C)c2ccccc2)nc2ncccc2c1=O
InChIInChI=1S/C20H22N4O3S/c1-14(15-7-4-3-5-8-15)22-17(25)13-28-20-23-18-16(9-6-10-21-18)19(26)24(20)11-12-27-2/h3-10,14H,11-13H2,1-2H3,(H,22,25)
InChIKeyPNRBXNWHJKAXQW-UHFFFAOYSA-N
XLogP2.41
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide with MolForge

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Related Compounds

(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
3-Pyridinecarboxamide, 2-(4-morpholinyl)-N-phenyl-
CID 714698
2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethylsulfanyl]-3H-quinazolin-4-one
CID 136201717
2-({4-Hydroxy-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one
CID 135406328
6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide
CID 44527525
Nevirapin 2,4-Disubstituted deriv. 12a
CID 464562
2-(4-phenylbutyl)pyrido[2,3-d]pyrimidin-4(3H)-one
CID 135899247
N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10000408
N-(3,5-dimethylphenyl)-2-[(2-morpholin-4-yl-4-pyridinyl)methylsulfanyl]pyridine-3-carboxamide
CID 11373909
2-(2-o-Tolyl-ethoxymethyl)-3h-pyrido[2,3-d]pyrimidin-4-one
CID 135899153
N-((3,4-dihydro-4-oxopyrido[2,3-d]pyrimidin-2-yl)methyl)-3-phenylpropanamide
CID 135899280
2-Phenethyloxymethyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135899321

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide (CID 42892342) is 2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide is COCCn1c(SCC(=O)NC(C)c2ccccc2)nc2ncccc2c1=O.
What is the InChIKey of 2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide?
The InChIKey is PNRBXNWHJKAXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-14(15-7-4-3-5-8-15)22-17(25)13-28-20-23-18-16(9-6-10-21-18)19(26)24(20)11-12-27-2/h3-10,14H,11-13H2,1-2H3,(H,22,25).
What are the key properties of 2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide?
2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide has a molecular weight of 398.49 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 42892342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).