6-[(5-nitrofuran-2-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C17H15N5O3 — CID 24908540

About 6-[(5-nitrofuran-2-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(5-nitrofuran-2-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24908540) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is 6-[(5-nitrofuran-2-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(5-nitrofuran-2-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24908540
• Molecular Formula: C17H15N5O3
• Molecular Weight: 337.34 g/mol
• Exact Mass: 337.12
• IUPAC Name: 6-[(5-nitrofuran-2-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: O=[N+]([O-])c1ccc(CN2CCc3nc(-c4cccnc4)ncc3C2)o1
• InChI: InChI=1S/C17H15N5O3/c23-22(24)16-4-3-14(25-16)11-21-7-5-15-13(10-21)9-19-17(20-15)12-2-1-6-18-8-12/h1-4,6,8-9H,5,7,10-11H2
• InChIKey: IIRBZEVNVCKSJB-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 98.19 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.34
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(5-nitrofuran-2-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 6-[(5-nitrofuran-2-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24908540) is 6-[(5-nitrofuran-2-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 6-[(5-nitrofuran-2-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 6-[(5-nitrofuran-2-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is O=[N+]([O-])c1ccc(CN2CCc3nc(-c4cccnc4)ncc3C2)o1.

What is the InChIKey of 6-[(5-nitrofuran-2-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is IIRBZEVNVCKSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c23-22(24)16-4-3-14(25-16)11-21-7-5-15-13(10-21)9-19-17(20-15)12-2-1-6-18-8-12/h1-4,6,8-9H,5,7,10-11H2.

What are the key properties of 6-[(5-nitrofuran-2-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

6-[(5-nitrofuran-2-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 337.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-nitrofuran-2-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24908540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).