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

C23H19F2N3O4 — CID 25118019

IUPAC1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1c[nH]c(=O)c(C)c1
InChIInChI=1S/C23H19F2N3O4/c1-12-3-6-18(27-19(12)14-9-13(2)20(29)26-11-14)28-21(30)22(7-8-22)15-4-5-16-17(10-15)32-23(24,25)31-16/h3-6,9-11H,7-8H2,1-2H3,(H,26,29)(H,27,28,30)
InChIKeyBONHIWJLCLAVBF-UHFFFAOYSA-N
MW439.42 g/mol
LogP4.05
Rot. Bonds4

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

1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 25118019) has the molecular formula C23H19F2N3O4 and a molecular weight of 439.42 g/mol. Its IUPAC name is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID25118019
Molecular FormulaC23H19F2N3O4
Molecular Weight439.42 g/mol
Exact Mass439.13
IUPAC Name1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1c[nH]c(=O)c(C)c1
InChIInChI=1S/C23H19F2N3O4/c1-12-3-6-18(27-19(12)14-9-13(2)20(29)26-11-14)28-21(30)22(7-8-22)15-4-5-16-17(10-15)32-23(24,25)31-16/h3-6,9-11H,7-8H2,1-2H3,(H,26,29)(H,27,28,30)
InChIKeyBONHIWJLCLAVBF-UHFFFAOYSA-N
XLogP4.05
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.42
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

Lumacaftor
CID 16678941
2-(1,3-benzodioxol-5-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 25221514
Benzoic acid, 3-(6-(((1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl)carbonyl)amino)-3-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester
CID 58473277
2-(1,3-benzodioxol-5-yl)-N-[[6-tert-butyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide
CID 156012333
2-(1,3-benzodioxol-5-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 156013129
2-(1,3-benzodioxol-5-yl)-N-[[6-tert-butyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 156020395
4-(1,3-Benzodioxol-5-YL)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
CID 5112038
2-(3,4-dimethoxyphenyl)-N-(6-methylpyridin-2-yl)acetamide
CID 795782
N-(4,6-dimethyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 898748
4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-N-pyridin-2-yl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 16187971
N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17397707
1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide
CID 653961

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide (CID 25118019) is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1c[nH]c(=O)c(C)c1.
What is the InChIKey of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is BONHIWJLCLAVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O4/c1-12-3-6-18(27-19(12)14-9-13(2)20(29)26-11-14)28-21(30)22(7-8-22)15-4-5-16-17(10-15)32-23(24,25)31-16/h3-6,9-11H,7-8H2,1-2H3,(H,26,29)(H,27,28,30).
What are the key properties of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide?
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 439.42 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 25118019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).