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

C21H27N3O — CID 3159358

IUPACN,N,6,7,12,15,15-heptamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide
SMILESCc1cc2nc3c(nc2cc1C)C1(C(=O)N(C)C)CCC3(C)C1(C)C
InChIInChI=1S/C21H27N3O/c1-12-10-14-15(11-13(12)2)23-17-16(22-14)20(5)8-9-21(17,19(20,3)4)18(25)24(6)7/h10-11H,8-9H2,1-7H3
InChIKeyFZVHJNRIOZUKIO-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.66
Rot. Bonds1

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

N,N,6,7,12,15,15-heptamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide (PubChem CID 3159358) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N,N,6,7,12,15,15-heptamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide.

Molecular Properties

Compound NameN,N,6,7,12,15,15-heptamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide
PubChem CID3159358
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN,N,6,7,12,15,15-heptamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide
SMILESCc1cc2nc3c(nc2cc1C)C1(C(=O)N(C)C)CCC3(C)C1(C)C
InChIInChI=1S/C21H27N3O/c1-12-10-14-15(11-13(12)2)23-17-16(22-14)20(5)8-9-21(17,19(20,3)4)18(25)24(6)7/h10-11H,8-9H2,1-7H3
InChIKeyFZVHJNRIOZUKIO-UHFFFAOYSA-N
XLogP3.66
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N,6,7,12,15,15-heptamethyl-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,N,6,7,12,15,15-heptamethyl-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,N,6,7,12,15,15-heptamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide (CID 3159358) is N,N,6,7,12,15,15-heptamethyl-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,N,6,7,12,15,15-heptamethyl-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,N,6,7,12,15,15-heptamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide is Cc1cc2nc3c(nc2cc1C)C1(C(=O)N(C)C)CCC3(C)C1(C)C.
What is the InChIKey of N,N,6,7,12,15,15-heptamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide?
The InChIKey is FZVHJNRIOZUKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-12-10-14-15(11-13(12)2)23-17-16(22-14)20(5)8-9-21(17,19(20,3)4)18(25)24(6)7/h10-11H,8-9H2,1-7H3.
What are the key properties of N,N,6,7,12,15,15-heptamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide?
N,N,6,7,12,15,15-heptamethyl-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 337.47 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6,7,12,15,15-heptamethyl-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 3159358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).