2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide

C14H13N3O2 — CID 2963466

IUPAC2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide
SMILESNC(=O)CC1Nc2cccc3cccc(c23)NC1=O
InChIInChI=1S/C14H13N3O2/c15-12(18)7-11-14(19)17-10-6-2-4-8-3-1-5-9(16-11)13(8)10/h1-6,11,16H,7H2,(H2,15,18)(H,17,19)
InChIKeyGMBVVHXSKFASRR-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.45
Rot. Bonds2

About 2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide

2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide (PubChem CID 2963466) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide.

Molecular Properties

Compound Name2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide
PubChem CID2963466
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide
SMILESNC(=O)CC1Nc2cccc3cccc(c23)NC1=O
InChIInChI=1S/C14H13N3O2/c15-12(18)7-11-14(19)17-10-6-2-4-8-3-1-5-9(16-11)13(8)10/h1-6,11,16H,7H2,(H2,15,18)(H,17,19)
InChIKeyGMBVVHXSKFASRR-UHFFFAOYSA-N
XLogP1.45
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide?
The IUPAC name of 2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide (CID 2963466) is 2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide.
What is the SMILES notation for 2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide?
The canonical SMILES for 2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide is NC(=O)CC1Nc2cccc3cccc(c23)NC1=O.
What is the InChIKey of 2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide?
The InChIKey is GMBVVHXSKFASRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c15-12(18)7-11-14(19)17-10-6-2-4-8-3-1-5-9(16-11)13(8)10/h1-6,11,16H,7H2,(H2,15,18)(H,17,19).
What are the key properties of 2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide?
2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide has a molecular weight of 255.28 g/mol, XLogP of 1.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide is sourced from PubChem (CID 2963466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).