N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide

C19H20N6O2S — CID 138591112

IUPACN-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCc1nnc(-c2cc3cc(NC(=O)CN4CC5CCC(C4)O5)ncc3cn2)s1
InChIInChI=1S/C19H20N6O2S/c1-11-23-24-19(28-11)16-4-12-5-17(21-7-13(12)6-20-16)22-18(26)10-25-8-14-2-3-15(9-25)27-14/h4-7,14-15H,2-3,8-10H2,1H3,(H,21,22,26)
InChIKeyVNZRPLDUPOQYEJ-UHFFFAOYSA-N
MW396.48 g/mol
LogP2.26
Rot. Bonds4

About N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide

N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide (PubChem CID 138591112) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide.

Molecular Properties

Compound NameN-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide
PubChem CID138591112
Molecular FormulaC19H20N6O2S
Molecular Weight396.48 g/mol
Exact Mass396.14
IUPAC NameN-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCc1nnc(-c2cc3cc(NC(=O)CN4CC5CCC(C4)O5)ncc3cn2)s1
InChIInChI=1S/C19H20N6O2S/c1-11-23-24-19(28-11)16-4-12-5-17(21-7-13(12)6-20-16)22-18(26)10-25-8-14-2-3-15(9-25)27-14/h4-7,14-15H,2-3,8-10H2,1H3,(H,21,22,26)
InChIKeyVNZRPLDUPOQYEJ-UHFFFAOYSA-N
XLogP2.26
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
The IUPAC name of N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide (CID 138591112) is N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide.
What is the SMILES notation for N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
The canonical SMILES for N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide is Cc1nnc(-c2cc3cc(NC(=O)CN4CC5CCC(C4)O5)ncc3cn2)s1.
What is the InChIKey of N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
The InChIKey is VNZRPLDUPOQYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S/c1-11-23-24-19(28-11)16-4-12-5-17(21-7-13(12)6-20-16)22-18(26)10-25-8-14-2-3-15(9-25)27-14/h4-7,14-15H,2-3,8-10H2,1H3,(H,21,22,26).
What are the key properties of N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide has a molecular weight of 396.48 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide is sourced from PubChem (CID 138591112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).