N-ethyl-2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide

C14H18N4O3S — CID 38836757

IUPACN-ethyl-2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
SMILESCCNC(=O)CSc1nc2ncccc2c(=O)n1CCOC
InChIInChI=1S/C14H18N4O3S/c1-3-15-11(19)9-22-14-17-12-10(5-4-6-16-12)13(20)18(14)7-8-21-2/h4-6H,3,7-9H2,1-2H3,(H,15,19)
InChIKeyFNEASMVXFPFLHI-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.67
Rot. Bonds7

About N-ethyl-2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide

N-ethyl-2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide (PubChem CID 38836757) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-ethyl-2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
PubChem CID38836757
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-ethyl-2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
SMILESCCNC(=O)CSc1nc2ncccc2c(=O)n1CCOC
InChIInChI=1S/C14H18N4O3S/c1-3-15-11(19)9-22-14-17-12-10(5-4-6-16-12)13(20)18(14)7-8-21-2/h4-6H,3,7-9H2,1-2H3,(H,15,19)
InChIKeyFNEASMVXFPFLHI-UHFFFAOYSA-N
XLogP0.67
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide
CID 38835366
N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505804
N-[(2-chlorophenyl)methyl]-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7455992
2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyethyl)acetamide
CID 4093102
N-benzyl-2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2611271
2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-quinolin-5-ylacetamide
CID 24593218
N'-[2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]benzohydrazide
CID 2610566
2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide
CID 7856953
N-(furan-2-ylmethyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
CID 650868
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 N-ethyl-2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-ethyl-2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide (CID 38836757) is N-ethyl-2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-ethyl-2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-ethyl-2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide is CCNC(=O)CSc1nc2ncccc2c(=O)n1CCOC.
What is the InChIKey of N-ethyl-2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is FNEASMVXFPFLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-3-15-11(19)9-22-14-17-12-10(5-4-6-16-12)13(20)18(14)7-8-21-2/h4-6H,3,7-9H2,1-2H3,(H,15,19).
What are the key properties of N-ethyl-2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide?
N-ethyl-2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 322.39 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 38836757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).