N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide

C26H28N4O4 — CID 3211759

About N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide

N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 3211759) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 3211759
• Molecular Formula: C26H28N4O4
• Molecular Weight: 460.53 g/mol
• Exact Mass: 460.21
• IUPAC Name: N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide
• SMILES: O=C(NCC(=O)N(c1cccnc1)C(C(=O)NC1CCCCC1)c1ccccc1)c1ccco1
• InChI: InChI=1S/C26H28N4O4/c31-23(18-28-25(32)22-14-8-16-34-22)30(21-13-7-15-27-17-21)24(19-9-3-1-4-10-19)26(33)29-20-11-5-2-6-12-20/h1,3-4,7-10,13-17,20,24H,2,5-6,11-12,18H2,(H,28,32)(H,29,33)
• InChIKey: NOELCEKWAIZYSH-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 104.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.53
LogP ≤ 5	3.63
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-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide (CID 3211759) is N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide is O=C(NCC(=O)N(c1cccnc1)C(C(=O)NC1CCCCC1)c1ccccc1)c1ccco1.

What is the InChIKey of N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide?

The InChIKey is NOELCEKWAIZYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c31-23(18-28-25(32)22-14-8-16-34-22)30(21-13-7-15-27-17-21)24(19-9-3-1-4-10-19)26(33)29-20-11-5-2-6-12-20/h1,3-4,7-10,13-17,20,24H,2,5-6,11-12,18H2,(H,28,32)(H,29,33).

What are the key properties of N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide?

N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 3.63, 8 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-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 3211759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).