(1R,9R)-6-oxo-N-propan-2-yl-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

C19H23N5O2 — CID 7687055

About (1R,9R)-6-oxo-N-propan-2-yl-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

(1R,9R)-6-oxo-N-propan-2-yl-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide (PubChem CID 7687055) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is (1R,9R)-6-oxo-N-propan-2-yl-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide.

Molecular Properties

• Compound Name: (1R,9R)-6-oxo-N-propan-2-yl-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
• PubChem CID: 7687055
• Molecular Formula: C19H23N5O2
• Molecular Weight: 353.43 g/mol
• Exact Mass: 353.19
• IUPAC Name: (1R,9R)-6-oxo-N-propan-2-yl-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
• SMILES: CC(C)NC(=O)N1C[C@@H]2C[C@H](C1)c1c(-c3cncnc3)ccc(=O)n1C2
• InChI: InChI=1S/C19H23N5O2/c1-12(2)22-19(26)23-8-13-5-14(10-23)18-16(15-6-20-11-21-7-15)3-4-17(25)24(18)9-13/h3-4,6-7,11-14H,5,8-10H2,1-2H3,(H,22,26)/t13-,14+/m0/s1
• InChIKey: SEUHZNVIXAAZSO-UONOGXRCSA-N
• XLogP: 1.84
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.43
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1R,9R)-6-oxo-N-propan-2-yl-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

The IUPAC name of (1R,9R)-6-oxo-N-propan-2-yl-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide (CID 7687055) is (1R,9R)-6-oxo-N-propan-2-yl-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide.

What is the SMILES notation for (1R,9R)-6-oxo-N-propan-2-yl-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

The canonical SMILES for (1R,9R)-6-oxo-N-propan-2-yl-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide is CC(C)NC(=O)N1C[C@@H]2C[C@H](C1)c1c(-c3cncnc3)ccc(=O)n1C2.

What is the InChIKey of (1R,9R)-6-oxo-N-propan-2-yl-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

The InChIKey is SEUHZNVIXAAZSO-UONOGXRCSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12(2)22-19(26)23-8-13-5-14(10-23)18-16(15-6-20-11-21-7-15)3-4-17(25)24(18)9-13/h3-4,6-7,11-14H,5,8-10H2,1-2H3,(H,22,26)/t13-,14+/m0/s1.

What are the key properties of (1R,9R)-6-oxo-N-propan-2-yl-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

(1R,9R)-6-oxo-N-propan-2-yl-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,9R)-6-oxo-N-propan-2-yl-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide is sourced from PubChem (CID 7687055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).