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

C24H20F2N4O5 — CID 25118018

IUPACN-[6-(5-acetamido-6-oxo-1H-pyridin-3-yl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
SMILESCC(=O)Nc1cc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)c[nH]c1=O
InChIInChI=1S/C24H20F2N4O5/c1-12-3-6-19(29-20(12)14-9-16(28-13(2)31)21(32)27-11-14)30-22(33)23(7-8-23)15-4-5-17-18(10-15)35-24(25,26)34-17/h3-6,9-11H,7-8H2,1-2H3,(H,27,32)(H,28,31)(H,29,30,33)
InChIKeyLEBLKIWCRZPHNA-UHFFFAOYSA-N
MW482.44 g/mol
LogP3.70
Rot. Bonds5

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

N-[6-(5-acetamido-6-oxo-1H-pyridin-3-yl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide (PubChem CID 25118018) has the molecular formula C24H20F2N4O5 and a molecular weight of 482.44 g/mol. Its IUPAC name is N-[6-(5-acetamido-6-oxo-1H-pyridin-3-yl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[6-(5-acetamido-6-oxo-1H-pyridin-3-yl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
PubChem CID25118018
Molecular FormulaC24H20F2N4O5
Molecular Weight482.44 g/mol
Exact Mass482.14
IUPAC NameN-[6-(5-acetamido-6-oxo-1H-pyridin-3-yl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
SMILESCC(=O)Nc1cc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)c[nH]c1=O
InChIInChI=1S/C24H20F2N4O5/c1-12-3-6-19(29-20(12)14-9-16(28-13(2)31)21(32)27-11-14)30-22(33)23(7-8-23)15-4-5-17-18(10-15)35-24(25,26)34-17/h3-6,9-11H,7-8H2,1-2H3,(H,27,32)(H,28,31)(H,29,30,33)
InChIKeyLEBLKIWCRZPHNA-UHFFFAOYSA-N
XLogP3.70
TPSA122.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.44
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5-acetamido-6-oxo-1H-pyridin-3-yl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[6-(5-acetamido-6-oxo-1H-pyridin-3-yl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide (CID 25118018) is N-[6-(5-acetamido-6-oxo-1H-pyridin-3-yl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[6-(5-acetamido-6-oxo-1H-pyridin-3-yl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[6-(5-acetamido-6-oxo-1H-pyridin-3-yl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide is CC(=O)Nc1cc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)c[nH]c1=O.
What is the InChIKey of N-[6-(5-acetamido-6-oxo-1H-pyridin-3-yl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is LEBLKIWCRZPHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O5/c1-12-3-6-19(29-20(12)14-9-16(28-13(2)31)21(32)27-11-14)30-22(33)23(7-8-23)15-4-5-17-18(10-15)35-24(25,26)34-17/h3-6,9-11H,7-8H2,1-2H3,(H,27,32)(H,28,31)(H,29,30,33).
What are the key properties of N-[6-(5-acetamido-6-oxo-1H-pyridin-3-yl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide?
N-[6-(5-acetamido-6-oxo-1H-pyridin-3-yl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 482.44 g/mol, XLogP of 3.70, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-acetamido-6-oxo-1H-pyridin-3-yl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 25118018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).