N-(1,3-benzodioxol-5-yl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide

C24H23N3O5 — CID 1469055

About N-(1,3-benzodioxol-5-yl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide

N-(1,3-benzodioxol-5-yl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide (PubChem CID 1469055) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(1,3-benzodioxol-5-yl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
• PubChem CID: 1469055
• Molecular Formula: C24H23N3O5
• Molecular Weight: 433.46 g/mol
• Exact Mass: 433.16
• IUPAC Name: N-(1,3-benzodioxol-5-yl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
• SMILES: O=C(NC1CCCC1)[C@H](c1cccnc1)N(C(=O)c1ccco1)c1ccc2c(c1)OCO2
• InChI: InChI=1S/C24H23N3O5/c28-23(26-17-6-1-2-7-17)22(16-5-3-11-25-14-16)27(24(29)20-8-4-12-30-20)18-9-10-19-21(13-18)32-15-31-19/h3-5,8-14,17,22H,1-2,6-7,15H2,(H,26,28)/t22-/m0/s1
• InChIKey: UMAGSOYGAJRVOM-QFIPXVFZSA-N
• XLogP: 3.85
• TPSA: 93.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.46
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide?

The IUPAC name of N-(1,3-benzodioxol-5-yl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide (CID 1469055) is N-(1,3-benzodioxol-5-yl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide.

What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide?

The canonical SMILES for N-(1,3-benzodioxol-5-yl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide is O=C(NC1CCCC1)[C@H](c1cccnc1)N(C(=O)c1ccco1)c1ccc2c(c1)OCO2.

What is the InChIKey of N-(1,3-benzodioxol-5-yl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide?

The InChIKey is UMAGSOYGAJRVOM-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H23N3O5/c28-23(26-17-6-1-2-7-17)22(16-5-3-11-25-14-16)27(24(29)20-8-4-12-30-20)18-9-10-19-21(13-18)32-15-31-19/h3-5,8-14,17,22H,1-2,6-7,15H2,(H,26,28)/t22-/m0/s1.

What are the key properties of N-(1,3-benzodioxol-5-yl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide?

N-(1,3-benzodioxol-5-yl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide has a molecular weight of 433.46 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzodioxol-5-yl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 1469055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).