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

C24H22F2N4O4 — CID 71053044

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

N-[6-[1-(2-aminoethyl)-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide (PubChem CID 71053044) has the molecular formula C24H22F2N4O4 and a molecular weight of 468.46 g/mol. Its IUPAC name is N-[6-[1-(2-aminoethyl)-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[6-[1-(2-aminoethyl)-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
• PubChem CID: 71053044
• Molecular Formula: C24H22F2N4O4
• Molecular Weight: 468.46 g/mol
• Exact Mass: 468.16
• IUPAC Name: N-[6-[1-(2-aminoethyl)-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
• SMILES: Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(=O)n(CCN)c1
• InChI: InChI=1S/C24H22F2N4O4/c1-14-2-6-19(28-21(14)15-3-7-20(31)30(13-15)11-10-27)29-22(32)23(8-9-23)16-4-5-17-18(12-16)34-24(25,26)33-17/h2-7,12-13H,8-11,27H2,1H3,(H,28,29,32)
• InChIKey: CFROGJVIBLGBGW-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 108.47 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	468.46
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[6-[1-(2-aminoethyl)-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide (CID 71053044) is N-[6-[1-(2-aminoethyl)-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide.

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

The canonical SMILES for N-[6-[1-(2-aminoethyl)-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(=O)n(CCN)c1.

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

The InChIKey is CFROGJVIBLGBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O4/c1-14-2-6-19(28-21(14)15-3-7-20(31)30(13-15)11-10-27)29-22(32)23(8-9-23)16-4-5-17-18(12-16)34-24(25,26)33-17/h2-7,12-13H,8-11,27H2,1H3,(H,28,29,32).

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

N-[6-[1-(2-aminoethyl)-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 468.46 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[1-(2-aminoethyl)-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 71053044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).