1-[2-methyl-4-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

C17H22N6O3 — CID 56866168

IUPAC1-[2-methyl-4-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCC(=O)N1CCc2c(nc(C)nc2NCc2noc(C3CCCO3)n2)C1
InChIInChI=1S/C17H22N6O3/c1-10-19-13-9-23(11(2)24)6-5-12(13)16(20-10)18-8-15-21-17(26-22-15)14-4-3-7-25-14/h14H,3-9H2,1-2H3,(H,18,19,20)
InChIKeyKTJCBEWCKHTATL-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.54
Rot. Bonds4

About 1-[2-methyl-4-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

1-[2-methyl-4-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (PubChem CID 56866168) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-[2-methyl-4-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-4-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
PubChem CID56866168
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name1-[2-methyl-4-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCC(=O)N1CCc2c(nc(C)nc2NCc2noc(C3CCCO3)n2)C1
InChIInChI=1S/C17H22N6O3/c1-10-19-13-9-23(11(2)24)6-5-12(13)16(20-10)18-8-15-21-17(26-22-15)14-4-3-7-25-14/h14H,3-9H2,1-2H3,(H,18,19,20)
InChIKeyKTJCBEWCKHTATL-UHFFFAOYSA-N
XLogP1.54
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[2-methyl-4-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The IUPAC name of 1-[2-methyl-4-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (CID 56866168) is 1-[2-methyl-4-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.
What is the SMILES notation for 1-[2-methyl-4-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The canonical SMILES for 1-[2-methyl-4-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is CC(=O)N1CCc2c(nc(C)nc2NCc2noc(C3CCCO3)n2)C1.
What is the InChIKey of 1-[2-methyl-4-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The InChIKey is KTJCBEWCKHTATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-10-19-13-9-23(11(2)24)6-5-12(13)16(20-10)18-8-15-21-17(26-22-15)14-4-3-7-25-14/h14H,3-9H2,1-2H3,(H,18,19,20).
What are the key properties of 1-[2-methyl-4-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
1-[2-methyl-4-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone has a molecular weight of 358.40 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is sourced from PubChem (CID 56866168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).