(4S)-2-amino-4-(3-bromophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile

C18H16BrN3O2 — CID 2026729

About (4S)-2-amino-4-(3-bromophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile

(4S)-2-amino-4-(3-bromophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 2026729) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is (4S)-2-amino-4-(3-bromophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: (4S)-2-amino-4-(3-bromophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
• PubChem CID: 2026729
• Molecular Formula: C18H16BrN3O2
• Molecular Weight: 386.25 g/mol
• Exact Mass: 385.04
• IUPAC Name: (4S)-2-amino-4-(3-bromophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
• SMILES: CCn1c(C)cc2c(c1=O)[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2
• InChI: InChI=1S/C18H16BrN3O2/c1-3-22-10(2)7-14-16(18(22)23)15(13(9-20)17(21)24-14)11-5-4-6-12(19)8-11/h4-8,15H,3,21H2,1-2H3/t15-/m0/s1
• InChIKey: QSOZMIWHWQLYHP-HNNXBMFYSA-N
• XLogP: 3.16
• TPSA: 81.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.25
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4S)-2-amino-4-(3-bromophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?

The IUPAC name of (4S)-2-amino-4-(3-bromophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 2026729) is (4S)-2-amino-4-(3-bromophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

What is the SMILES notation for (4S)-2-amino-4-(3-bromophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?

The canonical SMILES for (4S)-2-amino-4-(3-bromophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile is CCn1c(C)cc2c(c1=O)[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2.

What is the InChIKey of (4S)-2-amino-4-(3-bromophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?

The InChIKey is QSOZMIWHWQLYHP-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-3-22-10(2)7-14-16(18(22)23)15(13(9-20)17(21)24-14)11-5-4-6-12(19)8-11/h4-8,15H,3,21H2,1-2H3/t15-/m0/s1.

What are the key properties of (4S)-2-amino-4-(3-bromophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?

(4S)-2-amino-4-(3-bromophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 386.25 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-2-amino-4-(3-bromophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 2026729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).