N-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-4-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide

C26H30N4O5 — CID 25317856

About N-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-4-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide

N-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-4-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 25317856) has the molecular formula C26H30N4O5 and a molecular weight of 478.55 g/mol. Its IUPAC name is N-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-4-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-4-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 25317856
• Molecular Formula: C26H30N4O5
• Molecular Weight: 478.55 g/mol
• Exact Mass: 478.22
• IUPAC Name: N-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-4-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide
• SMILES: CCOc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC(C)(C)C)c2ccncc2)cc1
• InChI: InChI=1S/C26H30N4O5/c1-5-34-20-10-8-19(9-11-20)30(22(31)17-28-24(32)21-7-6-16-35-21)23(18-12-14-27-15-13-18)25(33)29-26(2,3)4/h6-16,23H,5,17H2,1-4H3,(H,28,32)(H,29,33)/t23-/m0/s1
• InChIKey: UTXGLAFUESXTFB-QHCPKHFHSA-N
• XLogP: 3.49
• 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	478.55
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-4-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-4-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide (CID 25317856) is N-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-4-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-4-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for N-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-4-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide is CCOc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC(C)(C)C)c2ccncc2)cc1.

What is the InChIKey of N-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-4-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide?

The InChIKey is UTXGLAFUESXTFB-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H30N4O5/c1-5-34-20-10-8-19(9-11-20)30(22(31)17-28-24(32)21-7-6-16-35-21)23(18-12-14-27-15-13-18)25(33)29-26(2,3)4/h6-16,23H,5,17H2,1-4H3,(H,28,32)(H,29,33)/t23-/m0/s1.

What are the key properties of N-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-4-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide?

N-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-4-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-4-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 25317856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).