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

C14H18N6OS — CID 56803048

IUPAC2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1ncc2c(n1)CN(CC(=O)Nc1nnc(C)s1)CC2
InChIInChI=1S/C14H18N6OS/c1-3-12-15-6-10-4-5-20(7-11(10)16-12)8-13(21)17-14-19-18-9(2)22-14/h6H,3-5,7-8H2,1-2H3,(H,17,19,21)
InChIKeyNBJUTRANVQYOCH-UHFFFAOYSA-N
MW318.41 g/mol
LogP1.20
Rot. Bonds4

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

2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 56803048) has the molecular formula C14H18N6OS and a molecular weight of 318.41 g/mol. Its IUPAC name is 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID56803048
Molecular FormulaC14H18N6OS
Molecular Weight318.41 g/mol
Exact Mass318.13
IUPAC Name2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1ncc2c(n1)CN(CC(=O)Nc1nnc(C)s1)CC2
InChIInChI=1S/C14H18N6OS/c1-3-12-15-6-10-4-5-20(7-11(10)16-12)8-13(21)17-14-19-18-9(2)22-14/h6H,3-5,7-8H2,1-2H3,(H,17,19,21)
InChIKeyNBJUTRANVQYOCH-UHFFFAOYSA-N
XLogP1.20
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 53569004
2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 53571417
2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 53618970
2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 53625070
2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(2-propylpyrazol-3-yl)acetamide
CID 53625753
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-7-(cyclopropylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56870367
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-7-(cyclopropylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56870885
2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 71933040
2-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(2-propylpyrazol-3-yl)acetamide
CID 72140225
2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 53572086
2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 53571626
2-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-1,3,4-thiadiazole
CID 176625915

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 56803048) is 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is CCc1ncc2c(n1)CN(CC(=O)Nc1nnc(C)s1)CC2.
What is the InChIKey of 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is NBJUTRANVQYOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6OS/c1-3-12-15-6-10-4-5-20(7-11(10)16-12)8-13(21)17-14-19-18-9(2)22-14/h6H,3-5,7-8H2,1-2H3,(H,17,19,21).
What are the key properties of 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 318.41 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 56803048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).