2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-fluoro-3-hydroxyphenyl)pyridine-3-carboxamide

C₂₅H₁₉FN₆O₂S — CID 122546311

About 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-fluoro-3-hydroxyphenyl)pyridine-3-carboxamide

2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-fluoro-3-hydroxyphenyl)pyridine-3-carboxamide (PubChem CID 122546311) has the molecular formula C₂₅H₁₉FN₆O₂S and a molecular weight of 486.53 g/mol. Its IUPAC name is 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-fluoro-3-hydroxyphenyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-fluoro-3-hydroxyphenyl)pyridine-3-carboxamide
• PubChem CID: 122546311
• Molecular Formula: C₂₅H₁₉FN₆O₂S
• Molecular Weight: 486.53 g/mol
• Exact Mass: 486.13
• IUPAC Name: 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-fluoro-3-hydroxyphenyl)pyridine-3-carboxamide
• SMILES: Nc1ncnc2ccc(-c3ccc(CNc4ncccc4C(=O)Nc4ccc(F)c(O)c4)s3)cc12
• InChI: InChI=1S/C25H19FN6O2S/c26-19-6-4-15(11-21(19)33)32-25(34)17-2-1-9-28-24(17)29-12-16-5-8-22(35-16)14-3-7-20-18(10-14)23(27)31-13-30-20/h1-11,13,33H,12H2,(H,28,29)(H,32,34)(H2,27,30,31)
• InChIKey: MTHGCFQGAMHQJG-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 126.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.53
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-fluoro-3-hydroxyphenyl)pyridine-3-carboxamide?

The IUPAC name of 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-fluoro-3-hydroxyphenyl)pyridine-3-carboxamide (CID 122546311) is 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-fluoro-3-hydroxyphenyl)pyridine-3-carboxamide.

What is the SMILES notation for 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-fluoro-3-hydroxyphenyl)pyridine-3-carboxamide?

The canonical SMILES for 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-fluoro-3-hydroxyphenyl)pyridine-3-carboxamide is Nc1ncnc2ccc(-c3ccc(CNc4ncccc4C(=O)Nc4ccc(F)c(O)c4)s3)cc12.

What is the InChIKey of 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-fluoro-3-hydroxyphenyl)pyridine-3-carboxamide?

The InChIKey is MTHGCFQGAMHQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN6O2S/c26-19-6-4-15(11-21(19)33)32-25(34)17-2-1-9-28-24(17)29-12-16-5-8-22(35-16)14-3-7-20-18(10-14)23(27)31-13-30-20/h1-11,13,33H,12H2,(H,28,29)(H,32,34)(H2,27,30,31).

What are the key properties of 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-fluoro-3-hydroxyphenyl)pyridine-3-carboxamide?

2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-fluoro-3-hydroxyphenyl)pyridine-3-carboxamide has a molecular weight of 486.53 g/mol, XLogP of 5.04, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-fluoro-3-hydroxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 122546311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122546311 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.