N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide

C17H24N6O2S — CID 126812719

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide
SMILESCCn1cnc2c(c1=O)CCN(CC(=O)Nc1nnc(C(C)(C)C)s1)C2
InChIInChI=1S/C17H24N6O2S/c1-5-23-10-18-12-8-22(7-6-11(12)14(23)25)9-13(24)19-16-21-20-15(26-16)17(2,3)4/h10H,5-9H2,1-4H3,(H,19,21,24)
InChIKeyBXQKAPWDXUSSMX-UHFFFAOYSA-N
MW376.49 g/mol
LogP1.41
Rot. Bonds4

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide (PubChem CID 126812719) has the molecular formula C17H24N6O2S and a molecular weight of 376.49 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide
PubChem CID126812719
Molecular FormulaC17H24N6O2S
Molecular Weight376.49 g/mol
Exact Mass376.17
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide
SMILESCCn1cnc2c(c1=O)CCN(CC(=O)Nc1nnc(C(C)(C)C)s1)C2
InChIInChI=1S/C17H24N6O2S/c1-5-23-10-18-12-8-22(7-6-11(12)14(23)25)9-13(24)19-16-21-20-15(26-16)17(2,3)4/h10H,5-9H2,1-4H3,(H,19,21,24)
InChIKeyBXQKAPWDXUSSMX-UHFFFAOYSA-N
XLogP1.41
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide (CID 126812719) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide is CCn1cnc2c(c1=O)CCN(CC(=O)Nc1nnc(C(C)(C)C)s1)C2.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide?
The InChIKey is BXQKAPWDXUSSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2S/c1-5-23-10-18-12-8-22(7-6-11(12)14(23)25)9-13(24)19-16-21-20-15(26-16)17(2,3)4/h10H,5-9H2,1-4H3,(H,19,21,24).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide has a molecular weight of 376.49 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide is sourced from PubChem (CID 126812719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).