N-(4-bromophenyl)-2-(3-fluoro-4-methylphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide

C24H19BrFN3O3 — CID 4142357

About N-(4-bromophenyl)-2-(3-fluoro-4-methylphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide

N-(4-bromophenyl)-2-(3-fluoro-4-methylphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide (PubChem CID 4142357) has the molecular formula C24H19BrFN3O3 and a molecular weight of 496.34 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(3-fluoro-4-methylphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-bromophenyl)-2-(3-fluoro-4-methylphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
• PubChem CID: 4142357
• Molecular Formula: C24H19BrFN3O3
• Molecular Weight: 496.34 g/mol
• Exact Mass: 495.06
• IUPAC Name: N-(4-bromophenyl)-2-(3-fluoro-4-methylphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
• SMILES: Cc1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc(Br)cc2)cc1F
• InChI: InChI=1S/C24H19BrFN3O3/c1-13-3-6-18(9-21(13)26)29-24-20(23(31)28-17-7-4-16(25)5-8-17)10-19-15(12-30)11-27-14(2)22(19)32-24/h3-11,30H,12H2,1-2H3,(H,28,31)/b29-24-
• InChIKey: LTENMUAHVRDNCS-OLFWJLLRSA-N
• XLogP: 5.32
• TPSA: 87.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.34
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(3-fluoro-4-methylphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?

The IUPAC name of N-(4-bromophenyl)-2-(3-fluoro-4-methylphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide (CID 4142357) is N-(4-bromophenyl)-2-(3-fluoro-4-methylphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for N-(4-bromophenyl)-2-(3-fluoro-4-methylphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for N-(4-bromophenyl)-2-(3-fluoro-4-methylphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide is Cc1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc(Br)cc2)cc1F.

What is the InChIKey of N-(4-bromophenyl)-2-(3-fluoro-4-methylphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?

The InChIKey is LTENMUAHVRDNCS-OLFWJLLRSA-N. The full InChI is InChI=1S/C24H19BrFN3O3/c1-13-3-6-18(9-21(13)26)29-24-20(23(31)28-17-7-4-16(25)5-8-17)10-19-15(12-30)11-27-14(2)22(19)32-24/h3-11,30H,12H2,1-2H3,(H,28,31)/b29-24-.

What are the key properties of N-(4-bromophenyl)-2-(3-fluoro-4-methylphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?

N-(4-bromophenyl)-2-(3-fluoro-4-methylphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide has a molecular weight of 496.34 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-bromophenyl)-2-(3-fluoro-4-methylphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 4142357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).