6,7,12,15,15-pentamethyl-N'-phenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide

C25H28N4O — CID 3260256

IUPAC6,7,12,15,15-pentamethyl-N'-phenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide
SMILESCc1cc2nc3c(nc2cc1C)C1(C(=O)NNc2ccccc2)CCC3(C)C1(C)C
InChIInChI=1S/C25H28N4O/c1-15-13-18-19(14-16(15)2)27-21-20(26-18)24(5)11-12-25(21,23(24,3)4)22(30)29-28-17-9-7-6-8-10-17/h6-10,13-14,28H,11-12H2,1-5H3,(H,29,30)
InChIKeyBUTAHCNKBINKSW-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.72
Rot. Bonds3

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

6,7,12,15,15-pentamethyl-N'-phenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide (PubChem CID 3260256) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 6,7,12,15,15-pentamethyl-N'-phenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide.

Molecular Properties

Compound Name6,7,12,15,15-pentamethyl-N'-phenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide
PubChem CID3260256
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name6,7,12,15,15-pentamethyl-N'-phenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide
SMILESCc1cc2nc3c(nc2cc1C)C1(C(=O)NNc2ccccc2)CCC3(C)C1(C)C
InChIInChI=1S/C25H28N4O/c1-15-13-18-19(14-16(15)2)27-21-20(26-18)24(5)11-12-25(21,23(24,3)4)22(30)29-28-17-9-7-6-8-10-17/h6-10,13-14,28H,11-12H2,1-5H3,(H,29,30)
InChIKeyBUTAHCNKBINKSW-UHFFFAOYSA-N
XLogP4.72
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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

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Frequently Asked Questions

What is the IUPAC name of 6,7,12,15,15-pentamethyl-N'-phenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide?
The IUPAC name of 6,7,12,15,15-pentamethyl-N'-phenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide (CID 3260256) is 6,7,12,15,15-pentamethyl-N'-phenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide.
What is the SMILES notation for 6,7,12,15,15-pentamethyl-N'-phenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide?
The canonical SMILES for 6,7,12,15,15-pentamethyl-N'-phenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide is Cc1cc2nc3c(nc2cc1C)C1(C(=O)NNc2ccccc2)CCC3(C)C1(C)C.
What is the InChIKey of 6,7,12,15,15-pentamethyl-N'-phenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide?
The InChIKey is BUTAHCNKBINKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-15-13-18-19(14-16(15)2)27-21-20(26-18)24(5)11-12-25(21,23(24,3)4)22(30)29-28-17-9-7-6-8-10-17/h6-10,13-14,28H,11-12H2,1-5H3,(H,29,30).
What are the key properties of 6,7,12,15,15-pentamethyl-N'-phenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide?
6,7,12,15,15-pentamethyl-N'-phenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide has a molecular weight of 400.53 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,12,15,15-pentamethyl-N'-phenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide is sourced from PubChem (CID 3260256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).