1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide

C24H21F2N3O5 — CID 68740579

About 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide

1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 68740579) has the molecular formula C24H21F2N3O5 and a molecular weight of 469.44 g/mol. Its IUPAC name is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide
• PubChem CID: 68740579
• Molecular Formula: C24H21F2N3O5
• Molecular Weight: 469.44 g/mol
• Exact Mass: 469.14
• IUPAC Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide
• SMILES: Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccn(CCO)c(=O)c1
• InChI: InChI=1S/C24H21F2N3O5/c1-14-2-5-19(27-21(14)15-6-9-29(10-11-30)20(31)12-15)28-22(32)23(7-8-23)16-3-4-17-18(13-16)34-24(25,26)33-17/h2-6,9,12-13,30H,7-8,10-11H2,1H3,(H,27,28,32)
• InChIKey: QFZCPWUVPYYNKK-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 102.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.44
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide?

The IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide (CID 68740579) is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccn(CCO)c(=O)c1.

What is the InChIKey of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide?

The InChIKey is QFZCPWUVPYYNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O5/c1-14-2-5-19(27-21(14)15-6-9-29(10-11-30)20(31)12-15)28-22(32)23(7-8-23)16-3-4-17-18(13-16)34-24(25,26)33-17/h2-6,9,12-13,30H,7-8,10-11H2,1H3,(H,27,28,32).

What are the key properties of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide?

1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 469.44 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 68740579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).