N,N,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide

C19H23N3O — CID 664404

IUPACN,N,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCN(C)C(=O)C12CCC(C)(c3nc4ccccc4nc31)C2(C)C
InChIInChI=1S/C19H23N3O/c1-17(2)18(3)10-11-19(17,16(23)22(4)5)15-14(18)20-12-8-6-7-9-13(12)21-15/h6-9H,10-11H2,1-5H3
InChIKeyMVOPGXWXHAQHAY-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.05
Rot. Bonds1

About N,N,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide

N,N,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (PubChem CID 664404) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N,N,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide.

Molecular Properties

Compound NameN,N,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
PubChem CID664404
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN,N,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCN(C)C(=O)C12CCC(C)(c3nc4ccccc4nc31)C2(C)C
InChIInChI=1S/C19H23N3O/c1-17(2)18(3)10-11-19(17,16(23)22(4)5)15-14(18)20-12-8-6-7-9-13(12)21-15/h6-9H,10-11H2,1-5H3
InChIKeyMVOPGXWXHAQHAY-UHFFFAOYSA-N
XLogP3.05
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The IUPAC name of N,N,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (CID 664404) is N,N,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide.
What is the SMILES notation for N,N,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The canonical SMILES for N,N,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is CN(C)C(=O)C12CCC(C)(c3nc4ccccc4nc31)C2(C)C.
What is the InChIKey of N,N,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The InChIKey is MVOPGXWXHAQHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-17(2)18(3)10-11-19(17,16(23)22(4)5)15-14(18)20-12-8-6-7-9-13(12)21-15/h6-9H,10-11H2,1-5H3.
What are the key properties of N,N,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
N,N,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is sourced from PubChem (CID 664404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).