2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide

C16H22N4O2S — CID 38835366

IUPAC2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide
SMILESCCn1c(SCC(=O)NCCC(C)C)nc2ncccc2c1=O
InChIInChI=1S/C16H22N4O2S/c1-4-20-15(22)12-6-5-8-18-14(12)19-16(20)23-10-13(21)17-9-7-11(2)3/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,17,21)
InChIKeyFPGMDJWZHIJVHJ-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.07
Rot. Bonds7

About 2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide

2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide (PubChem CID 38835366) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide
PubChem CID38835366
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide
SMILESCCn1c(SCC(=O)NCCC(C)C)nc2ncccc2c1=O
InChIInChI=1S/C16H22N4O2S/c1-4-20-15(22)12-6-5-8-18-14(12)19-16(20)23-10-13(21)17-9-7-11(2)3/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,17,21)
InChIKeyFPGMDJWZHIJVHJ-UHFFFAOYSA-N
XLogP2.07
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 17442753
N-[(4-chlorophenyl)methyl]-2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 17462773
N-(2-ethyl-6-methylphenyl)-2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 38835357
N-ethyl-2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 38836757
2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 42935818
N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 42892344
N-(3-methylbutylcarbamoyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7713138
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide
CID 7559078
2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide
CID 16509998
methyl 2-[2-(3-methylbutylamino)-2-oxoethyl]sulfanyl-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxylate
CID 7957592
2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide
CID 8665776
2-(4-oxo-3-prop-2-enylpyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 38835808

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide (CID 38835366) is 2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide is CCn1c(SCC(=O)NCCC(C)C)nc2ncccc2c1=O.
What is the InChIKey of 2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide?
The InChIKey is FPGMDJWZHIJVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-4-20-15(22)12-6-5-8-18-14(12)19-16(20)23-10-13(21)17-9-7-11(2)3/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,17,21).
What are the key properties of 2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide?
2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide has a molecular weight of 334.45 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 38835366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).