12,15,15-trimethyl-N-(4-methyl-2-pyridinyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide

C23H24N4O — CID 4728779

IUPAC12,15,15-trimethyl-N-(4-methyl-2-pyridinyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCc1ccnc(NC(=O)C23CCC(C)(c4nc5ccccc5nc42)C3(C)C)c1
InChIInChI=1S/C23H24N4O/c1-14-9-12-24-17(13-14)27-20(28)23-11-10-22(4,21(23,2)3)18-19(23)26-16-8-6-5-7-15(16)25-18/h5-9,12-13H,10-11H2,1-4H3,(H,24,27,28)
InChIKeyVRVBZGQXHLAQDT-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.30
Rot. Bonds2

About 12,15,15-trimethyl-N-(4-methyl-2-pyridinyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide

12,15,15-trimethyl-N-(4-methyl-2-pyridinyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (PubChem CID 4728779) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 12,15,15-trimethyl-N-(4-methyl-2-pyridinyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide.

Molecular Properties

Compound Name12,15,15-trimethyl-N-(4-methyl-2-pyridinyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
PubChem CID4728779
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name12,15,15-trimethyl-N-(4-methyl-2-pyridinyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCc1ccnc(NC(=O)C23CCC(C)(c4nc5ccccc5nc42)C3(C)C)c1
InChIInChI=1S/C23H24N4O/c1-14-9-12-24-17(13-14)27-20(28)23-11-10-22(4,21(23,2)3)18-19(23)26-16-8-6-5-7-15(16)25-18/h5-9,12-13H,10-11H2,1-4H3,(H,24,27,28)
InChIKeyVRVBZGQXHLAQDT-UHFFFAOYSA-N
XLogP4.30
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 12,15,15-trimethyl-N-(4-methyl-2-pyridinyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12,15,15-trimethyl-N-(4-methyl-2-pyridinyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The IUPAC name of 12,15,15-trimethyl-N-(4-methyl-2-pyridinyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (CID 4728779) is 12,15,15-trimethyl-N-(4-methyl-2-pyridinyl)-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 12,15,15-trimethyl-N-(4-methyl-2-pyridinyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The canonical SMILES for 12,15,15-trimethyl-N-(4-methyl-2-pyridinyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is Cc1ccnc(NC(=O)C23CCC(C)(c4nc5ccccc5nc42)C3(C)C)c1.
What is the InChIKey of 12,15,15-trimethyl-N-(4-methyl-2-pyridinyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The InChIKey is VRVBZGQXHLAQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-14-9-12-24-17(13-14)27-20(28)23-11-10-22(4,21(23,2)3)18-19(23)26-16-8-6-5-7-15(16)25-18/h5-9,12-13H,10-11H2,1-4H3,(H,24,27,28).
What are the key properties of 12,15,15-trimethyl-N-(4-methyl-2-pyridinyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
12,15,15-trimethyl-N-(4-methyl-2-pyridinyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12,15,15-trimethyl-N-(4-methyl-2-pyridinyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is sourced from PubChem (CID 4728779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).