2-(4-oxo-2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,5(16),6,8,10,12,14-heptaen-3-yl)acetamide

C16H11N3O2 — CID 2052804

IUPAC2-(4-oxo-2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,5(16),6,8,10,12,14-heptaen-3-yl)acetamide
SMILESNC(=O)Cn1nc2c3c(cccc3c1=O)-c1ccccc1-2
InChIInChI=1S/C16H11N3O2/c17-13(20)8-19-16(21)12-7-3-6-10-9-4-1-2-5-11(9)15(18-19)14(10)12/h1-7H,8H2,(H2,17,20)
InChIKeyHTTIHGKTBPPICY-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.53
Rot. Bonds2

About 2-(4-oxo-2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,5(16),6,8,10,12,14-heptaen-3-yl)acetamide

2-(4-oxo-2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,5(16),6,8,10,12,14-heptaen-3-yl)acetamide (PubChem CID 2052804) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-(4-oxo-2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,5(16),6,8,10,12,14-heptaen-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,5(16),6,8,10,12,14-heptaen-3-yl)acetamide
PubChem CID2052804
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name2-(4-oxo-2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,5(16),6,8,10,12,14-heptaen-3-yl)acetamide
SMILESNC(=O)Cn1nc2c3c(cccc3c1=O)-c1ccccc1-2
InChIInChI=1S/C16H11N3O2/c17-13(20)8-19-16(21)12-7-3-6-10-9-4-1-2-5-11(9)15(18-19)14(10)12/h1-7H,8H2,(H2,17,20)
InChIKeyHTTIHGKTBPPICY-UHFFFAOYSA-N
XLogP1.53
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,5(16),6,8,10,12,14-heptaen-3-yl)acetamide?
The IUPAC name of 2-(4-oxo-2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,5(16),6,8,10,12,14-heptaen-3-yl)acetamide (CID 2052804) is 2-(4-oxo-2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,5(16),6,8,10,12,14-heptaen-3-yl)acetamide.
What is the SMILES notation for 2-(4-oxo-2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,5(16),6,8,10,12,14-heptaen-3-yl)acetamide?
The canonical SMILES for 2-(4-oxo-2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,5(16),6,8,10,12,14-heptaen-3-yl)acetamide is NC(=O)Cn1nc2c3c(cccc3c1=O)-c1ccccc1-2.
What is the InChIKey of 2-(4-oxo-2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,5(16),6,8,10,12,14-heptaen-3-yl)acetamide?
The InChIKey is HTTIHGKTBPPICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c17-13(20)8-19-16(21)12-7-3-6-10-9-4-1-2-5-11(9)15(18-19)14(10)12/h1-7H,8H2,(H2,17,20).
What are the key properties of 2-(4-oxo-2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,5(16),6,8,10,12,14-heptaen-3-yl)acetamide?
2-(4-oxo-2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,5(16),6,8,10,12,14-heptaen-3-yl)acetamide has a molecular weight of 277.28 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,5(16),6,8,10,12,14-heptaen-3-yl)acetamide is sourced from PubChem (CID 2052804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).