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

C25H28N4O — CID 3254302

IUPAC6,7,12,15,15-pentamethyl-N-(4-methyl-2-pyridinyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide
SMILESCc1ccnc(NC(=O)C23CCC(C)(c4nc5cc(C)c(C)cc5nc42)C3(C)C)c1
InChIInChI=1S/C25H28N4O/c1-14-7-10-26-19(11-14)29-22(30)25-9-8-24(6,23(25,4)5)20-21(25)28-18-13-16(3)15(2)12-17(18)27-20/h7,10-13H,8-9H2,1-6H3,(H,26,29,30)
InChIKeyDTOXMJJBGZCRFJ-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.92
Rot. Bonds2

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

6,7,12,15,15-pentamethyl-N-(4-methyl-2-pyridinyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide (PubChem CID 3254302) 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-(4-methyl-2-pyridinyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide.

Molecular Properties

Compound Name6,7,12,15,15-pentamethyl-N-(4-methyl-2-pyridinyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide
PubChem CID3254302
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name6,7,12,15,15-pentamethyl-N-(4-methyl-2-pyridinyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide
SMILESCc1ccnc(NC(=O)C23CCC(C)(c4nc5cc(C)c(C)cc5nc42)C3(C)C)c1
InChIInChI=1S/C25H28N4O/c1-14-7-10-26-19(11-14)29-22(30)25-9-8-24(6,23(25,4)5)20-21(25)28-18-13-16(3)15(2)12-17(18)27-20/h7,10-13H,8-9H2,1-6H3,(H,26,29,30)
InChIKeyDTOXMJJBGZCRFJ-UHFFFAOYSA-N
XLogP4.92
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6,7,12,15,15-pentamethyl-N-(4-methyl-2-pyridinyl)-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 6,7,12,15,15-pentamethyl-N-(4-methyl-2-pyridinyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide?
The IUPAC name of 6,7,12,15,15-pentamethyl-N-(4-methyl-2-pyridinyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide (CID 3254302) is 6,7,12,15,15-pentamethyl-N-(4-methyl-2-pyridinyl)-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 6,7,12,15,15-pentamethyl-N-(4-methyl-2-pyridinyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide?
The canonical SMILES for 6,7,12,15,15-pentamethyl-N-(4-methyl-2-pyridinyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide is Cc1ccnc(NC(=O)C23CCC(C)(c4nc5cc(C)c(C)cc5nc42)C3(C)C)c1.
What is the InChIKey of 6,7,12,15,15-pentamethyl-N-(4-methyl-2-pyridinyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide?
The InChIKey is DTOXMJJBGZCRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-14-7-10-26-19(11-14)29-22(30)25-9-8-24(6,23(25,4)5)20-21(25)28-18-13-16(3)15(2)12-17(18)27-20/h7,10-13H,8-9H2,1-6H3,(H,26,29,30).
What are the key properties of 6,7,12,15,15-pentamethyl-N-(4-methyl-2-pyridinyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide?
6,7,12,15,15-pentamethyl-N-(4-methyl-2-pyridinyl)-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 400.53 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,12,15,15-pentamethyl-N-(4-methyl-2-pyridinyl)-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 3254302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).