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

C18H15N5O2 — CID 3239827

IUPAC6-methyl-2-oxo-N-(pyridin-2-ylmethyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCn1c(C(=O)NCc2ccccn2)cc2c(=O)n3ccccc3nc21
InChIInChI=1S/C18H15N5O2/c1-22-14(17(24)20-11-12-6-2-4-8-19-12)10-13-16(22)21-15-7-3-5-9-23(15)18(13)25/h2-10H,11H2,1H3,(H,20,24)
InChIKeyXYZJCXRWEAEYSU-UHFFFAOYSA-N
MW333.35 g/mol
LogP1.51
Rot. Bonds3

About 6-methyl-2-oxo-N-(pyridin-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-(pyridin-2-ylmethyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (PubChem CID 3239827) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 6-methyl-2-oxo-N-(pyridin-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-(pyridin-2-ylmethyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
PubChem CID3239827
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name6-methyl-2-oxo-N-(pyridin-2-ylmethyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCn1c(C(=O)NCc2ccccn2)cc2c(=O)n3ccccc3nc21
InChIInChI=1S/C18H15N5O2/c1-22-14(17(24)20-11-12-6-2-4-8-19-12)10-13-16(22)21-15-7-3-5-9-23(15)18(13)25/h2-10H,11H2,1H3,(H,20,24)
InChIKeyXYZJCXRWEAEYSU-UHFFFAOYSA-N
XLogP1.51
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.51
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-(pyridin-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-(pyridin-2-ylmethyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (CID 3239827) is 6-methyl-2-oxo-N-(pyridin-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-(pyridin-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-(pyridin-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)NCc2ccccn2)cc2c(=O)n3ccccc3nc21.
What is the InChIKey of 6-methyl-2-oxo-N-(pyridin-2-ylmethyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The InChIKey is XYZJCXRWEAEYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-22-14(17(24)20-11-12-6-2-4-8-19-12)10-13-16(22)21-15-7-3-5-9-23(15)18(13)25/h2-10H,11H2,1H3,(H,20,24).
What are the key properties of 6-methyl-2-oxo-N-(pyridin-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-(pyridin-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 333.35 g/mol, XLogP of 1.51, 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-(pyridin-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 3239827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).