methyl 3-[6-[(2,6-difluorobenzoyl)amino]-3-pyridinyl]-4-methylbenzoate

C21H16F2N2O3 — CID 24775151

IUPACmethyl 3-[6-[(2,6-difluorobenzoyl)amino]-3-pyridinyl]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(-c2ccc(NC(=O)c3c(F)cccc3F)nc2)c1
InChIInChI=1S/C21H16F2N2O3/c1-12-6-7-13(21(27)28-2)10-15(12)14-8-9-18(24-11-14)25-20(26)19-16(22)4-3-5-17(19)23/h3-11H,1-2H3,(H,24,25,26)
InChIKeyJPJHHRSRUNCLIC-UHFFFAOYSA-N
MW382.37 g/mol
LogP4.37
Rot. Bonds4

About methyl 3-[6-[(2,6-difluorobenzoyl)amino]-3-pyridinyl]-4-methylbenzoate

methyl 3-[6-[(2,6-difluorobenzoyl)amino]-3-pyridinyl]-4-methylbenzoate (PubChem CID 24775151) has the molecular formula C21H16F2N2O3 and a molecular weight of 382.37 g/mol. Its IUPAC name is methyl 3-[6-[(2,6-difluorobenzoyl)amino]-3-pyridinyl]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[6-[(2,6-difluorobenzoyl)amino]-3-pyridinyl]-4-methylbenzoate
PubChem CID24775151
Molecular FormulaC21H16F2N2O3
Molecular Weight382.37 g/mol
Exact Mass382.11
IUPAC Namemethyl 3-[6-[(2,6-difluorobenzoyl)amino]-3-pyridinyl]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(-c2ccc(NC(=O)c3c(F)cccc3F)nc2)c1
InChIInChI=1S/C21H16F2N2O3/c1-12-6-7-13(21(27)28-2)10-15(12)14-8-9-18(24-11-14)25-20(26)19-16(22)4-3-5-17(19)23/h3-11H,1-2H3,(H,24,25,26)
InChIKeyJPJHHRSRUNCLIC-UHFFFAOYSA-N
XLogP4.37
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2,2-dihydroxy-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide
CID 123737988
methyl 4-chloro-3-[6-[(2-methylbenzoyl)amino]-3-pyridinyl]benzoate
CID 24775351
2,6-difluoro-N-[5-(6-methylpyrazolo[1,5-a]pyridin-5-yl)-2-pyridinyl]benzamide
CID 58487449
2,6-difluoro-N-[5-(5-methyl-1H-indazol-6-yl)-2-pyridinyl]benzamide
CID 58487264
6-[(2,6-difluorobenzoyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide
CID 53406980
2,6-difluoro-N-[5-(7-methyl-4-oxo-2,3-dihydrochromen-6-yl)-2-pyridinyl]benzamide
CID 58486710
ethyl 4-chloro-3-[5-[(2,6-difluorobenzoyl)amino]pyrazin-2-yl]benzoate
CID 11625878
methyl 3-[(5-methyl-2-pyridinyl)carbamoyl]benzoate
CID 108799744
N-(5-chloro-2-pyridinyl)-4-methyl-3-(4-phenylphenyl)benzamide
CID 90885243
methyl 6-[(2-methylbenzoyl)amino]pyridine-3-carboxylate
CID 54003775
2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide;5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine
CID 162011863
2-fluoro-6-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide
CID 24876400

Frequently Asked Questions

What is the IUPAC name of methyl 3-[6-[(2,6-difluorobenzoyl)amino]-3-pyridinyl]-4-methylbenzoate?
The IUPAC name of methyl 3-[6-[(2,6-difluorobenzoyl)amino]-3-pyridinyl]-4-methylbenzoate (CID 24775151) is methyl 3-[6-[(2,6-difluorobenzoyl)amino]-3-pyridinyl]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[6-[(2,6-difluorobenzoyl)amino]-3-pyridinyl]-4-methylbenzoate?
The canonical SMILES for methyl 3-[6-[(2,6-difluorobenzoyl)amino]-3-pyridinyl]-4-methylbenzoate is COC(=O)c1ccc(C)c(-c2ccc(NC(=O)c3c(F)cccc3F)nc2)c1.
What is the InChIKey of methyl 3-[6-[(2,6-difluorobenzoyl)amino]-3-pyridinyl]-4-methylbenzoate?
The InChIKey is JPJHHRSRUNCLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O3/c1-12-6-7-13(21(27)28-2)10-15(12)14-8-9-18(24-11-14)25-20(26)19-16(22)4-3-5-17(19)23/h3-11H,1-2H3,(H,24,25,26).
What are the key properties of methyl 3-[6-[(2,6-difluorobenzoyl)amino]-3-pyridinyl]-4-methylbenzoate?
methyl 3-[6-[(2,6-difluorobenzoyl)amino]-3-pyridinyl]-4-methylbenzoate has a molecular weight of 382.37 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[6-[(2,6-difluorobenzoyl)amino]-3-pyridinyl]-4-methylbenzoate is sourced from PubChem (CID 24775151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).