4-[(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)sulfonyl]-N-methylbenzamide

C17H20N4O4S — CID 128999522

IUPAC4-[(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)sulfonyl]-N-methylbenzamide
SMILESCCn1cnc2c(c1=O)CCN(S(=O)(=O)c1ccc(C(=O)NC)cc1)C2
InChIInChI=1S/C17H20N4O4S/c1-3-20-11-19-15-10-21(9-8-14(15)17(20)23)26(24,25)13-6-4-12(5-7-13)16(22)18-2/h4-7,11H,3,8-10H2,1-2H3,(H,18,22)
InChIKeyVNOUBXUWTXIMIA-UHFFFAOYSA-N
MW376.44 g/mol
LogP0.37
Rot. Bonds4

About 4-[(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)sulfonyl]-N-methylbenzamide

4-[(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)sulfonyl]-N-methylbenzamide (PubChem CID 128999522) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is 4-[(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)sulfonyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)sulfonyl]-N-methylbenzamide
PubChem CID128999522
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC Name4-[(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)sulfonyl]-N-methylbenzamide
SMILESCCn1cnc2c(c1=O)CCN(S(=O)(=O)c1ccc(C(=O)NC)cc1)C2
InChIInChI=1S/C17H20N4O4S/c1-3-20-11-19-15-10-21(9-8-14(15)17(20)23)26(24,25)13-6-4-12(5-7-13)16(22)18-2/h4-7,11H,3,8-10H2,1-2H3,(H,18,22)
InChIKeyVNOUBXUWTXIMIA-UHFFFAOYSA-N
XLogP0.37
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)sulfonyl]-N-methylbenzamide?
The IUPAC name of 4-[(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)sulfonyl]-N-methylbenzamide (CID 128999522) is 4-[(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)sulfonyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)sulfonyl]-N-methylbenzamide?
The canonical SMILES for 4-[(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)sulfonyl]-N-methylbenzamide is CCn1cnc2c(c1=O)CCN(S(=O)(=O)c1ccc(C(=O)NC)cc1)C2.
What is the InChIKey of 4-[(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)sulfonyl]-N-methylbenzamide?
The InChIKey is VNOUBXUWTXIMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-3-20-11-19-15-10-21(9-8-14(15)17(20)23)26(24,25)13-6-4-12(5-7-13)16(22)18-2/h4-7,11H,3,8-10H2,1-2H3,(H,18,22).
What are the key properties of 4-[(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)sulfonyl]-N-methylbenzamide?
4-[(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)sulfonyl]-N-methylbenzamide has a molecular weight of 376.44 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)sulfonyl]-N-methylbenzamide is sourced from PubChem (CID 128999522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).