N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide

C28H32N4O4 — CID 651487

About N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 651487) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 651487
• Molecular Formula: C28H32N4O4
• Molecular Weight: 488.59 g/mol
• Exact Mass: 488.24
• IUPAC Name: N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
• SMILES: O=C(NCC(=O)N(CCc1ccccc1)C(C(=O)NC1CCCCC1)c1ccncc1)c1ccco1
• InChI: InChI=1S/C28H32N4O4/c33-25(20-30-27(34)24-12-7-19-36-24)32(18-15-21-8-3-1-4-9-21)26(22-13-16-29-17-14-22)28(35)31-23-10-5-2-6-11-23/h1,3-4,7-9,12-14,16-17,19,23,26H,2,5-6,10-11,15,18,20H2,(H,30,34)(H,31,35)
• InChIKey: WDNVGMPEQMKLAU-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 104.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.59
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide (CID 651487) is N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide is O=C(NCC(=O)N(CCc1ccccc1)C(C(=O)NC1CCCCC1)c1ccncc1)c1ccco1.

What is the InChIKey of N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide?

The InChIKey is WDNVGMPEQMKLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4/c33-25(20-30-27(34)24-12-7-19-36-24)32(18-15-21-8-3-1-4-9-21)26(22-13-16-29-17-14-22)28(35)31-23-10-5-2-6-11-23/h1,3-4,7-9,12-14,16-17,19,23,26H,2,5-6,10-11,15,18,20H2,(H,30,34)(H,31,35).

What are the key properties of N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide?

N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 488.59 g/mol, XLogP of 3.67, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 651487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).