methyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]pyridine-2-carboxylate

C15H12F2N2O3 — CID 139348053

IUPACmethyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NC(=O)Cc2cc(F)ccc2F)ccn1
InChIInChI=1S/C15H12F2N2O3/c1-22-15(21)13-8-11(4-5-18-13)19-14(20)7-9-6-10(16)2-3-12(9)17/h2-6,8H,7H2,1H3,(H,18,19,20)
InChIKeySXMPJJUNRGKEKL-UHFFFAOYSA-N
MW306.27 g/mol
LogP2.33
Rot. Bonds4

About methyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]pyridine-2-carboxylate

methyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]pyridine-2-carboxylate (PubChem CID 139348053) has the molecular formula C15H12F2N2O3 and a molecular weight of 306.27 g/mol. Its IUPAC name is methyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]pyridine-2-carboxylate
PubChem CID139348053
Molecular FormulaC15H12F2N2O3
Molecular Weight306.27 g/mol
Exact Mass306.08
IUPAC Namemethyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NC(=O)Cc2cc(F)ccc2F)ccn1
InChIInChI=1S/C15H12F2N2O3/c1-22-15(21)13-8-11(4-5-18-13)19-14(20)7-9-6-10(16)2-3-12(9)17/h2-6,8H,7H2,1H3,(H,18,19,20)
InChIKeySXMPJJUNRGKEKL-UHFFFAOYSA-N
XLogP2.33
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]pyridine-2-carboxylate 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

methyl 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxylate
CID 66285458
dimethyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]benzene-1,2-dicarboxylate
CID 102407593
N-tert-butyl-4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139348177
disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride
CID 172849137
N-(4-bromo-2-pyridinyl)-2-(2,5-difluorophenyl)acetamide
CID 115274263
2-(2,5-difluorophenyl)-N-[2-(dimethylamino)pyrimidin-4-yl]acetamide
CID 71869180
methyl 4-[(2,5-difluoro-4-methylbenzoyl)amino]pyridine-2-carboxylate
CID 159924030
4-[2-(2,5-difluorophenyl)ethylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide
CID 71865628
methyl 4-(4-fluorophenyl)pyridine-2-carboxylate
CID 54226711
2-(2,5-difluorophenyl)-N-[3-(methylaminomethyl)phenyl]acetamide
CID 84589209
4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 155588632
4-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-N-cyclohexylpyridine-2-carboxamide
CID 139347906

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]pyridine-2-carboxylate (CID 139348053) is methyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]pyridine-2-carboxylate is COC(=O)c1cc(NC(=O)Cc2cc(F)ccc2F)ccn1.
What is the InChIKey of methyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]pyridine-2-carboxylate?
The InChIKey is SXMPJJUNRGKEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O3/c1-22-15(21)13-8-11(4-5-18-13)19-14(20)7-9-6-10(16)2-3-12(9)17/h2-6,8H,7H2,1H3,(H,18,19,20).
What are the key properties of methyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]pyridine-2-carboxylate?
methyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]pyridine-2-carboxylate has a molecular weight of 306.27 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 139348053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).