[2-[[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]-4-pyridinyl]methylcarbamic acid

C30H22N6O4 — CID 66961946

About [2-[[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]-4-pyridinyl]methylcarbamic acid

[2-[[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]-4-pyridinyl]methylcarbamic acid (PubChem CID 66961946) has the molecular formula C30H22N6O4 and a molecular weight of 530.54 g/mol. Its IUPAC name is [2-[[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]-4-pyridinyl]methylcarbamic acid.

Molecular Properties

• Compound Name: [2-[[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]-4-pyridinyl]methylcarbamic acid
• PubChem CID: 66961946
• Molecular Formula: C30H22N6O4
• Molecular Weight: 530.54 g/mol
• Exact Mass: 530.17
• IUPAC Name: [2-[[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]-4-pyridinyl]methylcarbamic acid
• SMILES: O=C(O)NCc1ccnc(C(=O)Nc2ccc(Nc3cc(-c4cccc5c4oc4ccccc45)ncn3)cc2)c1
• InChI: InChI=1S/C30H22N6O4/c37-29(25-14-18(12-13-31-25)16-32-30(38)39)36-20-10-8-19(9-11-20)35-27-15-24(33-17-34-27)23-6-3-5-22-21-4-1-2-7-26(21)40-28(22)23/h1-15,17,32H,16H2,(H,36,37)(H,38,39)(H,33,34,35)
• InChIKey: WQIQUDSBZVQECC-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 142.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.54
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]-4-pyridinyl]methylcarbamic acid?

The IUPAC name of [2-[[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]-4-pyridinyl]methylcarbamic acid (CID 66961946) is [2-[[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]-4-pyridinyl]methylcarbamic acid.

What is the SMILES notation for [2-[[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]-4-pyridinyl]methylcarbamic acid?

The canonical SMILES for [2-[[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]-4-pyridinyl]methylcarbamic acid is O=C(O)NCc1ccnc(C(=O)Nc2ccc(Nc3cc(-c4cccc5c4oc4ccccc45)ncn3)cc2)c1.

What is the InChIKey of [2-[[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]-4-pyridinyl]methylcarbamic acid?

The InChIKey is WQIQUDSBZVQECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N6O4/c37-29(25-14-18(12-13-31-25)16-32-30(38)39)36-20-10-8-19(9-11-20)35-27-15-24(33-17-34-27)23-6-3-5-22-21-4-1-2-7-26(21)40-28(22)23/h1-15,17,32H,16H2,(H,36,37)(H,38,39)(H,33,34,35).

What are the key properties of [2-[[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]-4-pyridinyl]methylcarbamic acid?

[2-[[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]-4-pyridinyl]methylcarbamic acid has a molecular weight of 530.54 g/mol, XLogP of 6.20, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]-4-pyridinyl]methylcarbamic acid is sourced from PubChem (CID 66961946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).