6-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

C17H18N4O3 — CID 3241814

IUPAC6-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCn1c(C(=O)NCC2CCCO2)cc2c(=O)n3ccccc3nc21
InChIInChI=1S/C17H18N4O3/c1-20-13(16(22)18-10-11-5-4-8-24-11)9-12-15(20)19-14-6-2-3-7-21(14)17(12)23/h2-3,6-7,9,11H,4-5,8,10H2,1H3,(H,18,22)
InChIKeyLQQAHBSGUAGJTR-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.10
Rot. Bonds3

About 6-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

6-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (PubChem CID 3241814) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 6-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.

Molecular Properties

Compound Name6-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
PubChem CID3241814
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name6-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCn1c(C(=O)NCC2CCCO2)cc2c(=O)n3ccccc3nc21
InChIInChI=1S/C17H18N4O3/c1-20-13(16(22)18-10-11-5-4-8-24-11)9-12-15(20)19-14-6-2-3-7-21(14)17(12)23/h2-3,6-7,9,11H,4-5,8,10H2,1H3,(H,18,22)
InChIKeyLQQAHBSGUAGJTR-UHFFFAOYSA-N
XLogP1.10
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The IUPAC name of 6-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (CID 3241814) is 6-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.
What is the SMILES notation for 6-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The canonical SMILES for 6-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is Cn1c(C(=O)NCC2CCCO2)cc2c(=O)n3ccccc3nc21.
What is the InChIKey of 6-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The InChIKey is LQQAHBSGUAGJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-20-13(16(22)18-10-11-5-4-8-24-11)9-12-15(20)19-14-6-2-3-7-21(14)17(12)23/h2-3,6-7,9,11H,4-5,8,10H2,1H3,(H,18,22).
What are the key properties of 6-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
6-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is sourced from PubChem (CID 3241814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).