6,7-dichloro-12,15,15-trimethyl-N-pyridin-2-yl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide

C22H20Cl2N4O — CID 5197303

IUPAC6,7-dichloro-12,15,15-trimethyl-N-pyridin-2-yl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCC12CCC(C(=O)Nc3ccccn3)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C
InChIInChI=1S/C22H20Cl2N4O/c1-20(2)21(3)7-8-22(20,19(29)28-16-6-4-5-9-25-16)18-17(21)26-14-10-12(23)13(24)11-15(14)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,25,28,29)
InChIKeyLIHNQMUCXXDHRH-UHFFFAOYSA-N
MW427.34 g/mol
LogP5.30
Rot. Bonds2

About 6,7-dichloro-12,15,15-trimethyl-N-pyridin-2-yl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide

6,7-dichloro-12,15,15-trimethyl-N-pyridin-2-yl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (PubChem CID 5197303) has the molecular formula C22H20Cl2N4O and a molecular weight of 427.34 g/mol. Its IUPAC name is 6,7-dichloro-12,15,15-trimethyl-N-pyridin-2-yl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide.

Molecular Properties

Compound Name6,7-dichloro-12,15,15-trimethyl-N-pyridin-2-yl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
PubChem CID5197303
Molecular FormulaC22H20Cl2N4O
Molecular Weight427.34 g/mol
Exact Mass426.10
IUPAC Name6,7-dichloro-12,15,15-trimethyl-N-pyridin-2-yl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCC12CCC(C(=O)Nc3ccccn3)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C
InChIInChI=1S/C22H20Cl2N4O/c1-20(2)21(3)7-8-22(20,19(29)28-16-6-4-5-9-25-16)18-17(21)26-14-10-12(23)13(24)11-15(14)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,25,28,29)
InChIKeyLIHNQMUCXXDHRH-UHFFFAOYSA-N
XLogP5.30
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.34
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6,7-dichloro-12,15,15-trimethyl-N-pyridin-2-yl-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 6,7-dichloro-12,15,15-trimethyl-N-pyridin-2-yl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The IUPAC name of 6,7-dichloro-12,15,15-trimethyl-N-pyridin-2-yl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (CID 5197303) is 6,7-dichloro-12,15,15-trimethyl-N-pyridin-2-yl-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 6,7-dichloro-12,15,15-trimethyl-N-pyridin-2-yl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The canonical SMILES for 6,7-dichloro-12,15,15-trimethyl-N-pyridin-2-yl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is CC12CCC(C(=O)Nc3ccccn3)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C.
What is the InChIKey of 6,7-dichloro-12,15,15-trimethyl-N-pyridin-2-yl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The InChIKey is LIHNQMUCXXDHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O/c1-20(2)21(3)7-8-22(20,19(29)28-16-6-4-5-9-25-16)18-17(21)26-14-10-12(23)13(24)11-15(14)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,25,28,29).
What are the key properties of 6,7-dichloro-12,15,15-trimethyl-N-pyridin-2-yl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
6,7-dichloro-12,15,15-trimethyl-N-pyridin-2-yl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide has a molecular weight of 427.34 g/mol, XLogP of 5.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-12,15,15-trimethyl-N-pyridin-2-yl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is sourced from PubChem (CID 5197303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).