N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1S)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide

C26H30N4O4 — CID 58505422

About N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1S)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide

N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1S)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide (PubChem CID 58505422) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1S)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1S)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide
• PubChem CID: 58505422
• Molecular Formula: C26H30N4O4
• Molecular Weight: 462.55 g/mol
• Exact Mass: 462.23
• IUPAC Name: N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1S)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide
• SMILES: CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(O[C@@H](C)c3ccncc3)cn2)o1)C1CCCCC1
• InChI: InChI=1S/C26H30N4O4/c1-17(18-12-14-28-15-13-18)33-20-8-9-21(29-16-20)22-10-11-23(34-22)25(31)30-24(26(32)27-2)19-6-4-3-5-7-19/h8-17,19,24H,3-7H2,1-2H3,(H,27,32)(H,30,31)/t17-,24-/m0/s1
• InChIKey: DWVKWADZUZMFQP-XDHUDOTRSA-N
• XLogP: 4.30
• TPSA: 106.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.55
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1S)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide?

The IUPAC name of N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1S)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide (CID 58505422) is N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1S)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide.

What is the SMILES notation for N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1S)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide?

The canonical SMILES for N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1S)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide is CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(O[C@@H](C)c3ccncc3)cn2)o1)C1CCCCC1.

What is the InChIKey of N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1S)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide?

The InChIKey is DWVKWADZUZMFQP-XDHUDOTRSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-17(18-12-14-28-15-13-18)33-20-8-9-21(29-16-20)22-10-11-23(34-22)25(31)30-24(26(32)27-2)19-6-4-3-5-7-19/h8-17,19,24H,3-7H2,1-2H3,(H,27,32)(H,30,31)/t17-,24-/m0/s1.

What are the key properties of N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1S)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide?

N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1S)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1S)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 58505422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).