N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,6-naphthyridin-1-amine

C19H17N5O — CID 167747035

IUPACN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,6-naphthyridin-1-amine
SMILESc1ccc(Cc2noc(CCNc3nccc4cnccc34)n2)cc1
InChIInChI=1S/C19H17N5O/c1-2-4-14(5-3-1)12-17-23-18(25-24-17)8-11-22-19-16-7-9-20-13-15(16)6-10-21-19/h1-7,9-10,13H,8,11-12H2,(H,21,22)
InChIKeyLJCNNFSEGCJSMX-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.26
Rot. Bonds6

About N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,6-naphthyridin-1-amine

N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,6-naphthyridin-1-amine (PubChem CID 167747035) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,6-naphthyridin-1-amine.

Molecular Properties

Compound NameN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,6-naphthyridin-1-amine
PubChem CID167747035
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC NameN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,6-naphthyridin-1-amine
SMILESc1ccc(Cc2noc(CCNc3nccc4cnccc34)n2)cc1
InChIInChI=1S/C19H17N5O/c1-2-4-14(5-3-1)12-17-23-18(25-24-17)8-11-22-19-16-7-9-20-13-15(16)6-10-21-19/h1-7,9-10,13H,8,11-12H2,(H,21,22)
InChIKeyLJCNNFSEGCJSMX-UHFFFAOYSA-N
XLogP3.26
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine
CID 43152030
3-benzyl-5-(3-chloropropyl)-1,2,4-oxadiazole
CID 43513464
5-(2-chloroethyl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 62551885
N-(4-pyridin-3-ylbutyl)isoquinolin-1-amine
CID 67942240
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(furan-2-yl)ethanamine
CID 61024158
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine
CID 43663035
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-imidazol-1-ylacetamide
CID 91784327
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 146126326
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 167884326
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,5-difluorobenzamide
CID 91763292
2-methyl-N-[2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 61385551
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylsulfanylpropanamide
CID 118781230

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,6-naphthyridin-1-amine?
The IUPAC name of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,6-naphthyridin-1-amine (CID 167747035) is N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,6-naphthyridin-1-amine.
What is the SMILES notation for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,6-naphthyridin-1-amine?
The canonical SMILES for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,6-naphthyridin-1-amine is c1ccc(Cc2noc(CCNc3nccc4cnccc34)n2)cc1.
What is the InChIKey of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,6-naphthyridin-1-amine?
The InChIKey is LJCNNFSEGCJSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-2-4-14(5-3-1)12-17-23-18(25-24-17)8-11-22-19-16-7-9-20-13-15(16)6-10-21-19/h1-7,9-10,13H,8,11-12H2,(H,21,22).
What are the key properties of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,6-naphthyridin-1-amine?
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,6-naphthyridin-1-amine has a molecular weight of 331.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,6-naphthyridin-1-amine is sourced from PubChem (CID 167747035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).