4-[2-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]benzoyl azide

C16H17N7O2 — CID 136814360

About 4-[2-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]benzoyl azide

4-[2-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]benzoyl azide (PubChem CID 136814360) has the molecular formula C16H17N7O2 and a molecular weight of 339.36 g/mol. Its IUPAC name is 4-[2-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]benzoyl azide.

Molecular Properties

• Compound Name: 4-[2-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]benzoyl azide
• PubChem CID: 136814360
• Molecular Formula: C16H17N7O2
• Molecular Weight: 339.36 g/mol
• Exact Mass: 339.14
• IUPAC Name: 4-[2-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]benzoyl azide
• SMILES: [N-]=[N+]=NC(=O)c1ccc(CC[C@H]2CNc3nc(N)[nH]c(=O)c3C2)cc1
• InChI: InChI=1S/C16H17N7O2/c17-16-20-13-12(15(25)21-16)7-10(8-19-13)2-1-9-3-5-11(6-4-9)14(24)22-23-18/h3-6,10H,1-2,7-8H2,(H4,17,19,20,21,25)/t10-/m1/s1
• InChIKey: KXCXWQMWJKCAFT-SNVBAGLBSA-N
• XLogP: 2.02
• TPSA: 149.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.36
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]benzoyl azide?

The IUPAC name of 4-[2-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]benzoyl azide (CID 136814360) is 4-[2-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]benzoyl azide.

What is the SMILES notation for 4-[2-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]benzoyl azide?

The canonical SMILES for 4-[2-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]benzoyl azide is [N-]=[N+]=NC(=O)c1ccc(CC[C@H]2CNc3nc(N)[nH]c(=O)c3C2)cc1.

What is the InChIKey of 4-[2-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]benzoyl azide?

The InChIKey is KXCXWQMWJKCAFT-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17N7O2/c17-16-20-13-12(15(25)21-16)7-10(8-19-13)2-1-9-3-5-11(6-4-9)14(24)22-23-18/h3-6,10H,1-2,7-8H2,(H4,17,19,20,21,25)/t10-/m1/s1.

What are the key properties of 4-[2-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]benzoyl azide?

4-[2-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]benzoyl azide has a molecular weight of 339.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]benzoyl azide is sourced from PubChem (CID 136814360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).