N-cyclohexyl-4,11-dimethyl-9-oxo-10-(pyridin-3-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

C24H28N4O3 — CID 11531861

IUPACN-cyclohexyl-4,11-dimethyl-9-oxo-10-(pyridin-3-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILESCc1cc2c(cc3n2CC(C)(C(=O)NC2CCCCC2)N(Cc2cccnc2)C3=O)o1
InChIInChI=1S/C24H28N4O3/c1-16-11-19-21(31-16)12-20-22(29)28(14-17-7-6-10-25-13-17)24(2,15-27(19)20)23(30)26-18-8-4-3-5-9-18/h6-7,10-13,18H,3-5,8-9,14-15H2,1-2H3,(H,26,30)
InChIKeyZLNNFFBKFBUNPT-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.80
Rot. Bonds4

About N-cyclohexyl-4,11-dimethyl-9-oxo-10-(pyridin-3-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

N-cyclohexyl-4,11-dimethyl-9-oxo-10-(pyridin-3-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 11531861) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-cyclohexyl-4,11-dimethyl-9-oxo-10-(pyridin-3-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4,11-dimethyl-9-oxo-10-(pyridin-3-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
PubChem CID11531861
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-cyclohexyl-4,11-dimethyl-9-oxo-10-(pyridin-3-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILESCc1cc2c(cc3n2CC(C)(C(=O)NC2CCCCC2)N(Cc2cccnc2)C3=O)o1
InChIInChI=1S/C24H28N4O3/c1-16-11-19-21(31-16)12-20-22(29)28(14-17-7-6-10-25-13-17)24(2,15-27(19)20)23(30)26-18-8-4-3-5-9-18/h6-7,10-13,18H,3-5,8-9,14-15H2,1-2H3,(H,26,30)
InChIKeyZLNNFFBKFBUNPT-UHFFFAOYSA-N
XLogP3.80
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-4,11-dimethyl-9-oxo-10-(pyridin-3-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4,11-dimethyl-9-oxo-10-(pyridin-3-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The IUPAC name of N-cyclohexyl-4,11-dimethyl-9-oxo-10-(pyridin-3-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 11531861) is N-cyclohexyl-4,11-dimethyl-9-oxo-10-(pyridin-3-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.
What is the SMILES notation for N-cyclohexyl-4,11-dimethyl-9-oxo-10-(pyridin-3-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The canonical SMILES for N-cyclohexyl-4,11-dimethyl-9-oxo-10-(pyridin-3-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is Cc1cc2c(cc3n2CC(C)(C(=O)NC2CCCCC2)N(Cc2cccnc2)C3=O)o1.
What is the InChIKey of N-cyclohexyl-4,11-dimethyl-9-oxo-10-(pyridin-3-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The InChIKey is ZLNNFFBKFBUNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-16-11-19-21(31-16)12-20-22(29)28(14-17-7-6-10-25-13-17)24(2,15-27(19)20)23(30)26-18-8-4-3-5-9-18/h6-7,10-13,18H,3-5,8-9,14-15H2,1-2H3,(H,26,30).
What are the key properties of N-cyclohexyl-4,11-dimethyl-9-oxo-10-(pyridin-3-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
N-cyclohexyl-4,11-dimethyl-9-oxo-10-(pyridin-3-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4,11-dimethyl-9-oxo-10-(pyridin-3-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is sourced from PubChem (CID 11531861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).