N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide

C20H17F2N3O3 — CID 90394551

IUPACN-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide
SMILESCC1=NC(C(=O)Nc2ccc(-c3cc4c(cc3C)OC(F)(F)O4)cn2)=C(C)C1
InChIInChI=1S/C20H17F2N3O3/c1-10-7-15-16(28-20(21,22)27-15)8-14(10)13-4-5-17(23-9-13)25-19(26)18-11(2)6-12(3)24-18/h4-5,7-9H,6H2,1-3H3,(H,23,25,26)
InChIKeyGGTQNVTXNWPUBJ-UHFFFAOYSA-N
MW385.37 g/mol
LogP4.46
Rot. Bonds3

About N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide

N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide (PubChem CID 90394551) has the molecular formula C20H17F2N3O3 and a molecular weight of 385.37 g/mol. Its IUPAC name is N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide
PubChem CID90394551
Molecular FormulaC20H17F2N3O3
Molecular Weight385.37 g/mol
Exact Mass385.12
IUPAC NameN-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide
SMILESCC1=NC(C(=O)Nc2ccc(-c3cc4c(cc3C)OC(F)(F)O4)cn2)=C(C)C1
InChIInChI=1S/C20H17F2N3O3/c1-10-7-15-16(28-20(21,22)27-15)8-14(10)13-4-5-17(23-9-13)25-19(26)18-11(2)6-12(3)24-18/h4-5,7-9H,6H2,1-3H3,(H,23,25,26)
InChIKeyGGTQNVTXNWPUBJ-UHFFFAOYSA-N
XLogP4.46
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,4-dimethyl-3H-pyrrole-5-carboxamide
CID 90394560
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide
CID 58486834
2,3,4,6-tetraamino-N-[5-(2,2-difluoro-6-hydroxy-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide
CID 121381946
N-[5-(2,2-dihydroxy-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide
CID 123737988
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 71526421
2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide
CID 58487435
N-[5-(2,2-difluoro-6-methyl-1,3-dihydroinden-5-yl)-2-pyridinyl]-2-methylbenzamide
CID 58487482
4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,3-dimethylpyrazole-5-carboxamide
CID 71526417
3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]pyridine-4-carboxamide
CID 58487162
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 90394567
N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 90396544
2,6-difluoro-N-[5-(7-methyl-4-oxo-2,3-dihydrochromen-6-yl)-2-pyridinyl]benzamide
CID 58486710

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide?
The IUPAC name of N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide (CID 90394551) is N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide.
What is the SMILES notation for N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide?
The canonical SMILES for N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide is CC1=NC(C(=O)Nc2ccc(-c3cc4c(cc3C)OC(F)(F)O4)cn2)=C(C)C1.
What is the InChIKey of N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide?
The InChIKey is GGTQNVTXNWPUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3/c1-10-7-15-16(28-20(21,22)27-15)8-14(10)13-4-5-17(23-9-13)25-19(26)18-11(2)6-12(3)24-18/h4-5,7-9H,6H2,1-3H3,(H,23,25,26).
What are the key properties of N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide?
N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide has a molecular weight of 385.37 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide is sourced from PubChem (CID 90394551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).