3-[[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]methyl]-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one

C19H21N5O2 — CID 167959157

IUPAC3-[[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]methyl]-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESCN1CCc2[nH]c(=O)c(CNc3nnc(Cc4ccccc4)o3)cc2C1
InChIInChI=1S/C19H21N5O2/c1-24-8-7-16-15(12-24)10-14(18(25)21-16)11-20-19-23-22-17(26-19)9-13-5-3-2-4-6-13/h2-6,10H,7-9,11-12H2,1H3,(H,20,23)(H,21,25)
InChIKeyTWGVCGWCFGIONW-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.95
Rot. Bonds5

About 3-[[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]methyl]-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one

3-[[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]methyl]-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one (PubChem CID 167959157) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-[[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]methyl]-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-[[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]methyl]-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
PubChem CID167959157
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name3-[[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]methyl]-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESCN1CCc2[nH]c(=O)c(CNc3nnc(Cc4ccccc4)o3)cc2C1
InChIInChI=1S/C19H21N5O2/c1-24-8-7-16-15(12-24)10-14(18(25)21-16)11-20-19-23-22-17(26-19)9-13-5-3-2-4-6-13/h2-6,10H,7-9,11-12H2,1H3,(H,20,23)(H,21,25)
InChIKeyTWGVCGWCFGIONW-UHFFFAOYSA-N
XLogP1.95
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]methyl]-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The IUPAC name of 3-[[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]methyl]-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one (CID 167959157) is 3-[[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]methyl]-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-[[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]methyl]-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The canonical SMILES for 3-[[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]methyl]-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one is CN1CCc2[nH]c(=O)c(CNc3nnc(Cc4ccccc4)o3)cc2C1.
What is the InChIKey of 3-[[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]methyl]-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The InChIKey is TWGVCGWCFGIONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-24-8-7-16-15(12-24)10-14(18(25)21-16)11-20-19-23-22-17(26-19)9-13-5-3-2-4-6-13/h2-6,10H,7-9,11-12H2,1H3,(H,20,23)(H,21,25).
What are the key properties of 3-[[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]methyl]-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
3-[[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]methyl]-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one has a molecular weight of 351.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]methyl]-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one is sourced from PubChem (CID 167959157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).