[6-methyl-5-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-phenylmethanone

C24H27N5O2 — CID 29086016

IUPAC[6-methyl-5-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-phenylmethanone
SMILESCc1ncc2c(c1-c1noc(C3CCN(C)CC3)n1)CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C24H27N5O2/c1-16-21(22-26-23(31-27-22)17-8-11-28(2)12-9-17)20-10-13-29(15-19(20)14-25-16)24(30)18-6-4-3-5-7-18/h3-7,14,17H,8-13,15H2,1-2H3
InChIKeyUAXNSOGLVQCWAX-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.45
Rot. Bonds3

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

[6-methyl-5-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-phenylmethanone (PubChem CID 29086016) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is [6-methyl-5-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[6-methyl-5-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-phenylmethanone
PubChem CID29086016
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name[6-methyl-5-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-phenylmethanone
SMILESCc1ncc2c(c1-c1noc(C3CCN(C)CC3)n1)CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C24H27N5O2/c1-16-21(22-26-23(31-27-22)17-8-11-28(2)12-9-17)20-10-13-29(15-19(20)14-25-16)24(30)18-6-4-3-5-7-18/h3-7,14,17H,8-13,15H2,1-2H3
InChIKeyUAXNSOGLVQCWAX-UHFFFAOYSA-N
XLogP3.45
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]-1H-pyridin-2-one
CID 29084262
6-methyl-5-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-N-propyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
CID 31005319
[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
6-methyl-5-[5-[(2S)-oxan-2-yl]-1,2,4-oxadiazol-3-yl]-N-propyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
CID 31134789
cyclobutyl-[6-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
CID 31162028
[6-methyl-5-[5-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1,2-oxazol-3-yl)methanone
CID 135889475
5-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
CID 45229255
1-[5-[6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]thiophen-2-yl]ethanone
CID 28739588
4-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]benzoic acid
CID 167763221
1H-imidazol-5-yl-[6-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
CID 28881344
[6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
CID 29152092
[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-phenylmethanone
CID 120852061

Frequently Asked Questions

What is the IUPAC name of [6-methyl-5-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-phenylmethanone?
The IUPAC name of [6-methyl-5-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-phenylmethanone (CID 29086016) is [6-methyl-5-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-phenylmethanone.
What is the SMILES notation for [6-methyl-5-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-phenylmethanone?
The canonical SMILES for [6-methyl-5-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-phenylmethanone is Cc1ncc2c(c1-c1noc(C3CCN(C)CC3)n1)CCN(C(=O)c1ccccc1)C2.
What is the InChIKey of [6-methyl-5-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-phenylmethanone?
The InChIKey is UAXNSOGLVQCWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-16-21(22-26-23(31-27-22)17-8-11-28(2)12-9-17)20-10-13-29(15-19(20)14-25-16)24(30)18-6-4-3-5-7-18/h3-7,14,17H,8-13,15H2,1-2H3.
What are the key properties of [6-methyl-5-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-phenylmethanone?
[6-methyl-5-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-phenylmethanone has a molecular weight of 417.51 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-5-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-phenylmethanone is sourced from PubChem (CID 29086016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).