6-N-(1,3-benzodioxol-5-yl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,6-dicarboxamide

C21H16FN3O4 — CID 109097797

IUPAC6-N-(1,3-benzodioxol-5-yl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
SMILESO=C(NCc1ccccc1F)c1cccc(C(=O)Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C21H16FN3O4/c22-15-5-2-1-4-13(15)11-23-20(26)16-6-3-7-17(25-16)21(27)24-14-8-9-18-19(10-14)29-12-28-18/h1-10H,11-12H2,(H,23,26)(H,24,27)
InChIKeyMWDBVHSSMPZMCV-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.13
Rot. Bonds5

About 6-N-(1,3-benzodioxol-5-yl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,6-dicarboxamide

6-N-(1,3-benzodioxol-5-yl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,6-dicarboxamide (PubChem CID 109097797) has the molecular formula C21H16FN3O4 and a molecular weight of 393.37 g/mol. Its IUPAC name is 6-N-(1,3-benzodioxol-5-yl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(1,3-benzodioxol-5-yl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
PubChem CID109097797
Molecular FormulaC21H16FN3O4
Molecular Weight393.37 g/mol
Exact Mass393.11
IUPAC Name6-N-(1,3-benzodioxol-5-yl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
SMILESO=C(NCc1ccccc1F)c1cccc(C(=O)Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C21H16FN3O4/c22-15-5-2-1-4-13(15)11-23-20(26)16-6-3-7-17(25-16)21(27)24-14-8-9-18-19(10-14)29-12-28-18/h1-10H,11-12H2,(H,23,26)(H,24,27)
InChIKeyMWDBVHSSMPZMCV-UHFFFAOYSA-N
XLogP3.13
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(1,3-benzodioxol-5-yl)-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101071
4-N-(1,3-benzodioxol-5-yl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086470
2-N-(1,3-benzodioxol-5-yl)-6-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101072
2-N-(1,3-benzodioxol-5-ylmethyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109098063
6-(1,3-benzodioxol-5-ylamino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369733
2-N-[(2-fluorophenyl)methyl]-6-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109097776
2-N-(1,3-benzodioxol-5-yl)-6-N-(2-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100819
6-N-(1,3-benzodioxol-5-yl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096496
6-fluoro-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 115496596
6-N-(3-fluorophenyl)-2-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097396
2-N-(1,3-benzodioxol-5-yl)-6-N-(2-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100925
N-(1,3-benzodioxol-5-yl)-N'-(2,6-difluorophenyl)propanediamide
CID 108956702

Frequently Asked Questions

What is the IUPAC name of 6-N-(1,3-benzodioxol-5-yl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-(1,3-benzodioxol-5-yl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,6-dicarboxamide (CID 109097797) is 6-N-(1,3-benzodioxol-5-yl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(1,3-benzodioxol-5-yl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(1,3-benzodioxol-5-yl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,6-dicarboxamide is O=C(NCc1ccccc1F)c1cccc(C(=O)Nc2ccc3c(c2)OCO3)n1.
What is the InChIKey of 6-N-(1,3-benzodioxol-5-yl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,6-dicarboxamide?
The InChIKey is MWDBVHSSMPZMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O4/c22-15-5-2-1-4-13(15)11-23-20(26)16-6-3-7-17(25-16)21(27)24-14-8-9-18-19(10-14)29-12-28-18/h1-10H,11-12H2,(H,23,26)(H,24,27).
What are the key properties of 6-N-(1,3-benzodioxol-5-yl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,6-dicarboxamide?
6-N-(1,3-benzodioxol-5-yl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,6-dicarboxamide has a molecular weight of 393.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1,3-benzodioxol-5-yl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109097797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).