N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3,5-dimethylanilino)-2-oxoethyl]furan-2-carboxamide

C28H32N4O4 — CID 3211839

About N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3,5-dimethylanilino)-2-oxoethyl]furan-2-carboxamide

N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3,5-dimethylanilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 3211839) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3,5-dimethylanilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3,5-dimethylanilino)-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 3211839
• Molecular Formula: C28H32N4O4
• Molecular Weight: 488.59 g/mol
• Exact Mass: 488.24
• IUPAC Name: N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3,5-dimethylanilino)-2-oxoethyl]furan-2-carboxamide
• SMILES: Cc1cc(C)cc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCCC2)c2ccncc2)c1
• InChI: InChI=1S/C28H32N4O4/c1-19-15-20(2)17-23(16-19)32(25(33)18-30-27(34)24-9-6-14-36-24)26(21-10-12-29-13-11-21)28(35)31-22-7-4-3-5-8-22/h6,9-17,22,26H,3-5,7-8,18H2,1-2H3,(H,30,34)(H,31,35)
• InChIKey: SWQVHKDOYZYXCG-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 104.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.59
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3,5-dimethylanilino)-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3,5-dimethylanilino)-2-oxoethyl]furan-2-carboxamide (CID 3211839) is N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3,5-dimethylanilino)-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3,5-dimethylanilino)-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3,5-dimethylanilino)-2-oxoethyl]furan-2-carboxamide is Cc1cc(C)cc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCCC2)c2ccncc2)c1.

What is the InChIKey of N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3,5-dimethylanilino)-2-oxoethyl]furan-2-carboxamide?

The InChIKey is SWQVHKDOYZYXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4/c1-19-15-20(2)17-23(16-19)32(25(33)18-30-27(34)24-9-6-14-36-24)26(21-10-12-29-13-11-21)28(35)31-22-7-4-3-5-8-22/h6,9-17,22,26H,3-5,7-8,18H2,1-2H3,(H,30,34)(H,31,35).

What are the key properties of N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3,5-dimethylanilino)-2-oxoethyl]furan-2-carboxamide?

N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3,5-dimethylanilino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 488.59 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3,5-dimethylanilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 3211839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).