N-(3-ethyl-6-methyl-2-pyridinyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide

C25H30N2O2 — CID 21047673

About N-(3-ethyl-6-methyl-2-pyridinyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide

N-(3-ethyl-6-methyl-2-pyridinyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide (PubChem CID 21047673) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-(3-ethyl-6-methyl-2-pyridinyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(3-ethyl-6-methyl-2-pyridinyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
• PubChem CID: 21047673
• Molecular Formula: C25H30N2O2
• Molecular Weight: 390.53 g/mol
• Exact Mass: 390.23
• IUPAC Name: N-(3-ethyl-6-methyl-2-pyridinyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
• SMILES: CCc1ccc(C)nc1NC(=O)c1ccc(Cc2c(C)c(C)c(C)c(C)c2C)o1
• InChI: InChI=1S/C25H30N2O2/c1-8-20-10-9-14(2)26-24(20)27-25(28)23-12-11-21(29-23)13-22-18(6)16(4)15(3)17(5)19(22)7/h9-12H,8,13H2,1-7H3,(H,26,27,28)
• InChIKey: QGFCVVPZYFFSLC-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	390.53
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-6-methyl-2-pyridinyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide?

The IUPAC name of N-(3-ethyl-6-methyl-2-pyridinyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide (CID 21047673) is N-(3-ethyl-6-methyl-2-pyridinyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide.

What is the SMILES notation for N-(3-ethyl-6-methyl-2-pyridinyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide?

The canonical SMILES for N-(3-ethyl-6-methyl-2-pyridinyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide is CCc1ccc(C)nc1NC(=O)c1ccc(Cc2c(C)c(C)c(C)c(C)c2C)o1.

What is the InChIKey of N-(3-ethyl-6-methyl-2-pyridinyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide?

The InChIKey is QGFCVVPZYFFSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-8-20-10-9-14(2)26-24(20)27-25(28)23-12-11-21(29-23)13-22-18(6)16(4)15(3)17(5)19(22)7/h9-12H,8,13H2,1-7H3,(H,26,27,28).

What are the key properties of N-(3-ethyl-6-methyl-2-pyridinyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide?

N-(3-ethyl-6-methyl-2-pyridinyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-ethyl-6-methyl-2-pyridinyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21047673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).