N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-3-carboxamide

C14H10F2N2O4 — CID 24532820

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cn1
InChIInChI=1S/C14H10F2N2O4/c1-20-12-5-2-8(7-17-12)13(19)18-9-3-4-10-11(6-9)22-14(15,16)21-10/h2-7H,1H3,(H,18,19)
InChIKeyYVGGEJVLLYWVAR-UHFFFAOYSA-N
MW308.24 g/mol
LogP2.66
Rot. Bonds3

About N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-3-carboxamide

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-3-carboxamide (PubChem CID 24532820) has the molecular formula C14H10F2N2O4 and a molecular weight of 308.24 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-3-carboxamide
PubChem CID24532820
Molecular FormulaC14H10F2N2O4
Molecular Weight308.24 g/mol
Exact Mass308.06
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cn1
InChIInChI=1S/C14H10F2N2O4/c1-20-12-5-2-8(7-17-12)13(19)18-9-3-4-10-11(6-9)22-14(15,16)21-10/h2-7H,1H3,(H,18,19)
InChIKeyYVGGEJVLLYWVAR-UHFFFAOYSA-N
XLogP2.66
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-3-carboxamide
CID 571626
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-sulfanylbenzamide
CID 107020546
2-bromo-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-4-carboxamide
CID 103752062
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methylsulfonylbenzamide
CID 26954321
6-methoxy-N-phenylpyridine-3-carboxamide
CID 44512975
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(ethoxymethyl)-4-methoxybenzamide
CID 24516145
methyl 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoacetate
CID 112616624
6-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-3-carboxamide
CID 27033587
N-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17466734
2-amino-N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]-6-methoxy-3-pyridinyl]-4-methoxypyridine-3-carboxamide
CID 177031583
6-amino-N-(6-methoxy-3-pyridinyl)pyridine-3-carboxamide
CID 62060168
4-[(6-methoxypyridine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 63650775

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-3-carboxamide (CID 24532820) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cn1.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-3-carboxamide?
The InChIKey is YVGGEJVLLYWVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O4/c1-20-12-5-2-8(7-17-12)13(19)18-9-3-4-10-11(6-9)22-14(15,16)21-10/h2-7H,1H3,(H,18,19).
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-3-carboxamide?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-3-carboxamide has a molecular weight of 308.24 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 24532820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).