3-pyrazin-2-yl-N-(3-tricyclo[3.3.1.03,7]nonanyl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide

C22H25N5O2 — CID 164625379

IUPAC3-pyrazin-2-yl-N-(3-tricyclo[3.3.1.03,7]nonanyl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide
SMILESO=C(NC12CC3CC(CC1C3)C2)c1nn(-c2cnccn2)c2c1CC1CCC2O1
InChIInChI=1S/C22H25N5O2/c28-21(25-22-9-12-5-13(10-22)7-14(22)6-12)19-16-8-15-1-2-17(29-15)20(16)27(26-19)18-11-23-3-4-24-18/h3-4,11-15,17H,1-2,5-10H2,(H,25,28)
InChIKeyTWDFSAXHSYUATJ-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.75
Rot. Bonds3

About 3-pyrazin-2-yl-N-(3-tricyclo[3.3.1.03,7]nonanyl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide

3-pyrazin-2-yl-N-(3-tricyclo[3.3.1.03,7]nonanyl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide (PubChem CID 164625379) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 3-pyrazin-2-yl-N-(3-tricyclo[3.3.1.03,7]nonanyl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide.

Molecular Properties

Compound Name3-pyrazin-2-yl-N-(3-tricyclo[3.3.1.03,7]nonanyl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide
PubChem CID164625379
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name3-pyrazin-2-yl-N-(3-tricyclo[3.3.1.03,7]nonanyl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide
SMILESO=C(NC12CC3CC(CC1C3)C2)c1nn(-c2cnccn2)c2c1CC1CCC2O1
InChIInChI=1S/C22H25N5O2/c28-21(25-22-9-12-5-13(10-22)7-14(22)6-12)19-16-8-15-1-2-17(29-15)20(16)27(26-19)18-11-23-3-4-24-18/h3-4,11-15,17H,1-2,5-10H2,(H,25,28)
InChIKeyTWDFSAXHSYUATJ-UHFFFAOYSA-N
XLogP2.75
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-pyrazin-2-yl-N-(3-tricyclo[3.3.1.03,7]nonanyl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-yl-N-(3-tricyclo[3.3.1.03,7]nonanyl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide?
The IUPAC name of 3-pyrazin-2-yl-N-(3-tricyclo[3.3.1.03,7]nonanyl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide (CID 164625379) is 3-pyrazin-2-yl-N-(3-tricyclo[3.3.1.03,7]nonanyl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide.
What is the SMILES notation for 3-pyrazin-2-yl-N-(3-tricyclo[3.3.1.03,7]nonanyl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide?
The canonical SMILES for 3-pyrazin-2-yl-N-(3-tricyclo[3.3.1.03,7]nonanyl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide is O=C(NC12CC3CC(CC1C3)C2)c1nn(-c2cnccn2)c2c1CC1CCC2O1.
What is the InChIKey of 3-pyrazin-2-yl-N-(3-tricyclo[3.3.1.03,7]nonanyl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide?
The InChIKey is TWDFSAXHSYUATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c28-21(25-22-9-12-5-13(10-22)7-14(22)6-12)19-16-8-15-1-2-17(29-15)20(16)27(26-19)18-11-23-3-4-24-18/h3-4,11-15,17H,1-2,5-10H2,(H,25,28).
What are the key properties of 3-pyrazin-2-yl-N-(3-tricyclo[3.3.1.03,7]nonanyl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide?
3-pyrazin-2-yl-N-(3-tricyclo[3.3.1.03,7]nonanyl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-yl-N-(3-tricyclo[3.3.1.03,7]nonanyl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide is sourced from PubChem (CID 164625379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).