N-cyclohexyl-19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene-10-carboxamide

C25H21N3O2 — CID 71480454

IUPACN-cyclohexyl-19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene-10-carboxamide
SMILESO=C(NC1CCCCC1)c1cc2c3ccccc3n3c(=O)c4ccccc4c(n1)c23
InChIInChI=1S/C25H21N3O2/c29-24(26-15-8-2-1-3-9-15)20-14-19-16-10-6-7-13-21(16)28-23(19)22(27-20)17-11-4-5-12-18(17)25(28)30/h4-7,10-15H,1-3,8-9H2,(H,26,29)
InChIKeyMRCGCRRIMURUJP-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.65
Rot. Bonds2

About N-cyclohexyl-19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene-10-carboxamide

N-cyclohexyl-19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene-10-carboxamide (PubChem CID 71480454) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-cyclohexyl-19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene-10-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene-10-carboxamide
PubChem CID71480454
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC NameN-cyclohexyl-19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene-10-carboxamide
SMILESO=C(NC1CCCCC1)c1cc2c3ccccc3n3c(=O)c4ccccc4c(n1)c23
InChIInChI=1S/C25H21N3O2/c29-24(26-15-8-2-1-3-9-15)20-14-19-16-10-6-7-13-21(16)28-23(19)22(27-20)17-11-4-5-12-18(17)25(28)30/h4-7,10-15H,1-3,8-9H2,(H,26,29)
InChIKeyMRCGCRRIMURUJP-UHFFFAOYSA-N
XLogP4.65
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene-10-carboxamide?
The IUPAC name of N-cyclohexyl-19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene-10-carboxamide (CID 71480454) is N-cyclohexyl-19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene-10-carboxamide.
What is the SMILES notation for N-cyclohexyl-19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene-10-carboxamide?
The canonical SMILES for N-cyclohexyl-19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene-10-carboxamide is O=C(NC1CCCCC1)c1cc2c3ccccc3n3c(=O)c4ccccc4c(n1)c23.
What is the InChIKey of N-cyclohexyl-19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene-10-carboxamide?
The InChIKey is MRCGCRRIMURUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c29-24(26-15-8-2-1-3-9-15)20-14-19-16-10-6-7-13-21(16)28-23(19)22(27-20)17-11-4-5-12-18(17)25(28)30/h4-7,10-15H,1-3,8-9H2,(H,26,29).
What are the key properties of N-cyclohexyl-19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene-10-carboxamide?
N-cyclohexyl-19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene-10-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene-10-carboxamide is sourced from PubChem (CID 71480454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).