N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide

C26H28N4O5 — CID 3211629

About N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide

N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 3211629) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 3211629
• Molecular Formula: C26H28N4O5
• Molecular Weight: 476.53 g/mol
• Exact Mass: 476.21
• IUPAC Name: N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide
• SMILES: COc1ccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccnc2)cc1
• InChI: InChI=1S/C26H28N4O5/c1-34-21-12-10-20(11-13-21)30(23(31)17-28-25(32)22-9-5-15-35-22)24(18-6-4-14-27-16-18)26(33)29-19-7-2-3-8-19/h4-6,9-16,19,24H,2-3,7-8,17H2,1H3,(H,28,32)(H,29,33)
• InChIKey: DKJODONSXGQDEK-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 113.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.53
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide (CID 3211629) is N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide is COc1ccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccnc2)cc1.

What is the InChIKey of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide?

The InChIKey is DKJODONSXGQDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5/c1-34-21-12-10-20(11-13-21)30(23(31)17-28-25(32)22-9-5-15-35-22)24(18-6-4-14-27-16-18)26(33)29-19-7-2-3-8-19/h4-6,9-16,19,24H,2-3,7-8,17H2,1H3,(H,28,32)(H,29,33).

What are the key properties of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide?

N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 476.53 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 3211629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).