15-oxo-N-pyrimidin-2-yl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide

C20H14N4O2 — CID 14460005

IUPAC15-oxo-N-pyrimidin-2-yl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide
SMILESO=C(Nc1ncccn1)C1C(=O)N2c3ccccc3Cc3cccc1c32
InChIInChI=1S/C20H14N4O2/c25-18(23-20-21-9-4-10-22-20)16-14-7-3-6-13-11-12-5-1-2-8-15(12)24(17(13)14)19(16)26/h1-10,16H,11H2,(H,21,22,23,25)
InChIKeyVKYQTLRWTJKZLQ-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.78
Rot. Bonds2

About 15-oxo-N-pyrimidin-2-yl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide

15-oxo-N-pyrimidin-2-yl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide (PubChem CID 14460005) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 15-oxo-N-pyrimidin-2-yl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide.

Molecular Properties

Compound Name15-oxo-N-pyrimidin-2-yl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide
PubChem CID14460005
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name15-oxo-N-pyrimidin-2-yl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide
SMILESO=C(Nc1ncccn1)C1C(=O)N2c3ccccc3Cc3cccc1c32
InChIInChI=1S/C20H14N4O2/c25-18(23-20-21-9-4-10-22-20)16-14-7-3-6-13-11-12-5-1-2-8-15(12)24(17(13)14)19(16)26/h1-10,16H,11H2,(H,21,22,23,25)
InChIKeyVKYQTLRWTJKZLQ-UHFFFAOYSA-N
XLogP2.78
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 15-oxo-N-pyrimidin-2-yl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide 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 15-oxo-N-pyrimidin-2-yl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide?
The IUPAC name of 15-oxo-N-pyrimidin-2-yl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide (CID 14460005) is 15-oxo-N-pyrimidin-2-yl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide.
What is the SMILES notation for 15-oxo-N-pyrimidin-2-yl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide?
The canonical SMILES for 15-oxo-N-pyrimidin-2-yl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide is O=C(Nc1ncccn1)C1C(=O)N2c3ccccc3Cc3cccc1c32.
What is the InChIKey of 15-oxo-N-pyrimidin-2-yl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide?
The InChIKey is VKYQTLRWTJKZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c25-18(23-20-21-9-4-10-22-20)16-14-7-3-6-13-11-12-5-1-2-8-15(12)24(17(13)14)19(16)26/h1-10,16H,11H2,(H,21,22,23,25).
What are the key properties of 15-oxo-N-pyrimidin-2-yl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide?
15-oxo-N-pyrimidin-2-yl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-oxo-N-pyrimidin-2-yl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide is sourced from PubChem (CID 14460005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).