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

C25H23F2N3O5 — CID 68740785

IUPAC1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-(2-hydroxyethyl)-5-methyl-2-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCc1cc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)c(=O)n(CCO)c1
InChIInChI=1S/C25H23F2N3O5/c1-14-11-17(22(32)30(13-14)9-10-31)21-15(2)3-6-20(28-21)29-23(33)24(7-8-24)16-4-5-18-19(12-16)35-25(26,27)34-18/h3-6,11-13,31H,7-10H2,1-2H3,(H,28,29,33)
InChIKeyLCBGNHCOZPPOAV-UHFFFAOYSA-N
MW483.47 g/mol
LogP3.51
Rot. Bonds6

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

1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-(2-hydroxyethyl)-5-methyl-2-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 68740785) has the molecular formula C25H23F2N3O5 and a molecular weight of 483.47 g/mol. Its IUPAC name is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-(2-hydroxyethyl)-5-methyl-2-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-(2-hydroxyethyl)-5-methyl-2-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID68740785
Molecular FormulaC25H23F2N3O5
Molecular Weight483.47 g/mol
Exact Mass483.16
IUPAC Name1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-(2-hydroxyethyl)-5-methyl-2-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCc1cc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)c(=O)n(CCO)c1
InChIInChI=1S/C25H23F2N3O5/c1-14-11-17(22(32)30(13-14)9-10-31)21-15(2)3-6-20(28-21)29-23(33)24(7-8-24)16-4-5-18-19(12-16)35-25(26,27)34-18/h3-6,11-13,31H,7-10H2,1-2H3,(H,28,29,33)
InChIKeyLCBGNHCOZPPOAV-UHFFFAOYSA-N
XLogP3.51
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.47
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-(2-hydroxyethyl)-5-methyl-2-oxo-3-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)-5-methyl-2-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide (CID 68740785) is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-(2-hydroxyethyl)-5-methyl-2-oxo-3-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)-5-methyl-2-oxo-3-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)-5-methyl-2-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide is Cc1cc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)c(=O)n(CCO)c1.
What is the InChIKey of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-(2-hydroxyethyl)-5-methyl-2-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is LCBGNHCOZPPOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O5/c1-14-11-17(22(32)30(13-14)9-10-31)21-15(2)3-6-20(28-21)29-23(33)24(7-8-24)16-4-5-18-19(12-16)35-25(26,27)34-18/h3-6,11-13,31H,7-10H2,1-2H3,(H,28,29,33).
What are the key properties of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-(2-hydroxyethyl)-5-methyl-2-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide?
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[1-(2-hydroxyethyl)-5-methyl-2-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 483.47 g/mol, XLogP of 3.51, 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)-5-methyl-2-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 68740785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).