[6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone

C23H24N4O2 — CID 29170270

IUPAC[6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone
SMILESCc1nc(-c2c(C)ncc3c2CCN(C(=O)[C@@H]2CCc4ccccc4C2)C3)no1
InChIInChI=1S/C23H24N4O2/c1-14-21(22-25-15(2)29-26-22)20-9-10-27(13-19(20)12-24-14)23(28)18-8-7-16-5-3-4-6-17(16)11-18/h3-6,12,18H,7-11,13H2,1-2H3/t18-/m1/s1
InChIKeyQPOATHMZEQDEJL-GOSISDBHSA-N
MW388.47 g/mol
LogP3.44
Rot. Bonds2

About [6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone

[6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone (PubChem CID 29170270) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is [6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone.

Molecular Properties

Compound Name[6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone
PubChem CID29170270
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name[6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone
SMILESCc1nc(-c2c(C)ncc3c2CCN(C(=O)[C@@H]2CCc4ccccc4C2)C3)no1
InChIInChI=1S/C23H24N4O2/c1-14-21(22-25-15(2)29-26-22)20-9-10-27(13-19(20)12-24-14)23(28)18-8-7-16-5-3-4-6-17(16)11-18/h3-6,12,18H,7-11,13H2,1-2H3/t18-/m1/s1
InChIKeyQPOATHMZEQDEJL-GOSISDBHSA-N
XLogP3.44
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone?
The IUPAC name of [6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone (CID 29170270) is [6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone.
What is the SMILES notation for [6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone?
The canonical SMILES for [6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone is Cc1nc(-c2c(C)ncc3c2CCN(C(=O)[C@@H]2CCc4ccccc4C2)C3)no1.
What is the InChIKey of [6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone?
The InChIKey is QPOATHMZEQDEJL-GOSISDBHSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-14-21(22-25-15(2)29-26-22)20-9-10-27(13-19(20)12-24-14)23(28)18-8-7-16-5-3-4-6-17(16)11-18/h3-6,12,18H,7-11,13H2,1-2H3/t18-/m1/s1.
What are the key properties of [6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone?
[6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone has a molecular weight of 388.47 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone is sourced from PubChem (CID 29170270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).