N,6,7,12,15,15-hexamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide

C20H25N3O — CID 2955751

IUPACN,6,7,12,15,15-hexamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide
SMILESCNC(=O)C12CCC(C)(c3nc4cc(C)c(C)cc4nc31)C2(C)C
InChIInChI=1S/C20H25N3O/c1-11-9-13-14(10-12(11)2)23-16-15(22-13)19(5)7-8-20(16,17(24)21-6)18(19,3)4/h9-10H,7-8H2,1-6H3,(H,21,24)
InChIKeySKUOWORXAYFSPD-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.32
Rot. Bonds1

About N,6,7,12,15,15-hexamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide

N,6,7,12,15,15-hexamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide (PubChem CID 2955751) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N,6,7,12,15,15-hexamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide.

Molecular Properties

Compound NameN,6,7,12,15,15-hexamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide
PubChem CID2955751
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN,6,7,12,15,15-hexamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide
SMILESCNC(=O)C12CCC(C)(c3nc4cc(C)c(C)cc4nc31)C2(C)C
InChIInChI=1S/C20H25N3O/c1-11-9-13-14(10-12(11)2)23-16-15(22-13)19(5)7-8-20(16,17(24)21-6)18(19,3)4/h9-10H,7-8H2,1-6H3,(H,21,24)
InChIKeySKUOWORXAYFSPD-UHFFFAOYSA-N
XLogP3.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,6,7,12,15,15-hexamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,6,7,12,15,15-hexamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide?
The IUPAC name of N,6,7,12,15,15-hexamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide (CID 2955751) is N,6,7,12,15,15-hexamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide.
What is the SMILES notation for N,6,7,12,15,15-hexamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide?
The canonical SMILES for N,6,7,12,15,15-hexamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide is CNC(=O)C12CCC(C)(c3nc4cc(C)c(C)cc4nc31)C2(C)C.
What is the InChIKey of N,6,7,12,15,15-hexamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide?
The InChIKey is SKUOWORXAYFSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-11-9-13-14(10-12(11)2)23-16-15(22-13)19(5)7-8-20(16,17(24)21-6)18(19,3)4/h9-10H,7-8H2,1-6H3,(H,21,24).
What are the key properties of N,6,7,12,15,15-hexamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide?
N,6,7,12,15,15-hexamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6,7,12,15,15-hexamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide is sourced from PubChem (CID 2955751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).