N,3,11,12,13,14-hexamethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-5-carboxamide

C19H25N3O — CID 59450164

IUPACN,3,11,12,13,14-hexamethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-5-carboxamide
SMILESCNC(=O)c1nn(C)c2c1CCCc1c(C)c(C)c(C)c(C)c1-2
InChIInChI=1S/C19H25N3O/c1-10-11(2)13(4)16-14(12(10)3)8-7-9-15-17(19(23)20-5)21-22(6)18(15)16/h7-9H2,1-6H3,(H,20,23)
InChIKeyMYBVMKFNTSRNIB-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.17
Rot. Bonds1

About N,3,11,12,13,14-hexamethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-5-carboxamide

N,3,11,12,13,14-hexamethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-5-carboxamide (PubChem CID 59450164) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N,3,11,12,13,14-hexamethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-5-carboxamide.

Molecular Properties

Compound NameN,3,11,12,13,14-hexamethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-5-carboxamide
PubChem CID59450164
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN,3,11,12,13,14-hexamethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-5-carboxamide
SMILESCNC(=O)c1nn(C)c2c1CCCc1c(C)c(C)c(C)c(C)c1-2
InChIInChI=1S/C19H25N3O/c1-10-11(2)13(4)16-14(12(10)3)8-7-9-15-17(19(23)20-5)21-22(6)18(15)16/h7-9H2,1-6H3,(H,20,23)
InChIKeyMYBVMKFNTSRNIB-UHFFFAOYSA-N
XLogP3.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,3,11,12,13,14-hexamethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,3,11,12,13,14-hexamethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-5-carboxamide?
The IUPAC name of N,3,11,12,13,14-hexamethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-5-carboxamide (CID 59450164) is N,3,11,12,13,14-hexamethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-5-carboxamide.
What is the SMILES notation for N,3,11,12,13,14-hexamethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-5-carboxamide?
The canonical SMILES for N,3,11,12,13,14-hexamethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-5-carboxamide is CNC(=O)c1nn(C)c2c1CCCc1c(C)c(C)c(C)c(C)c1-2.
What is the InChIKey of N,3,11,12,13,14-hexamethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-5-carboxamide?
The InChIKey is MYBVMKFNTSRNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-10-11(2)13(4)16-14(12(10)3)8-7-9-15-17(19(23)20-5)21-22(6)18(15)16/h7-9H2,1-6H3,(H,20,23).
What are the key properties of N,3,11,12,13,14-hexamethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-5-carboxamide?
N,3,11,12,13,14-hexamethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-5-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,11,12,13,14-hexamethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-5-carboxamide is sourced from PubChem (CID 59450164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).