methyl 4-[4-[(3-fluoropyridine-4-carbonyl)amino]phenyl]-5-methylthiophene-2-carboxylate

C19H15FN2O3S — CID 24875780

IUPACmethyl 4-[4-[(3-fluoropyridine-4-carbonyl)amino]phenyl]-5-methylthiophene-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(NC(=O)c3ccncc3F)cc2)c(C)s1
InChIInChI=1S/C19H15FN2O3S/c1-11-15(9-17(26-11)19(24)25-2)12-3-5-13(6-4-12)22-18(23)14-7-8-21-10-16(14)20/h3-10H,1-2H3,(H,22,23)
InChIKeyLYCOWRFYJATDPH-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.30
Rot. Bonds4

About methyl 4-[4-[(3-fluoropyridine-4-carbonyl)amino]phenyl]-5-methylthiophene-2-carboxylate

methyl 4-[4-[(3-fluoropyridine-4-carbonyl)amino]phenyl]-5-methylthiophene-2-carboxylate (PubChem CID 24875780) has the molecular formula C19H15FN2O3S and a molecular weight of 370.41 g/mol. Its IUPAC name is methyl 4-[4-[(3-fluoropyridine-4-carbonyl)amino]phenyl]-5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-[(3-fluoropyridine-4-carbonyl)amino]phenyl]-5-methylthiophene-2-carboxylate
PubChem CID24875780
Molecular FormulaC19H15FN2O3S
Molecular Weight370.41 g/mol
Exact Mass370.08
IUPAC Namemethyl 4-[4-[(3-fluoropyridine-4-carbonyl)amino]phenyl]-5-methylthiophene-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(NC(=O)c3ccncc3F)cc2)c(C)s1
InChIInChI=1S/C19H15FN2O3S/c1-11-15(9-17(26-11)19(24)25-2)12-3-5-13(6-4-12)22-18(23)14-7-8-21-10-16(14)20/h3-10H,1-2H3,(H,22,23)
InChIKeyLYCOWRFYJATDPH-UHFFFAOYSA-N
XLogP4.30
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[4-[(3-fluoropyridine-4-carbonyl)amino]phenyl]-5-methylthiophene-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 3-(isonicotinamido)thiophene-2-carboxylate
CID 897624
Methyl 4-methyl-2-(2-(4-(pyridin-4-yl)phenyl)acetamido)thiophene-3-carboxylate
CID 45104966
Methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]sulfanylmethyl]benzoate
CID 46897356
Ethyl 5'-(isonicotinamido)-[2,3'-bithiophene]-4'-carboxylate
CID 661910
Methyl 3-(2-(isoquinolin-5-yl)acetamido)thiophene-2-carboxylate
CID 52949817
Methyl 3-(2-(4-(pyridin-4-yl)phenyl)acetamido)thiophene-2-carboxylate
CID 52950113
7-[2-(methoxymethyl)phenyl]-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
CID 56667019
7-(4-fluoro-2-methoxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
CID 56677280
4-Methyl-3-[5-(3-methyl-pyridin-4-ylcarbamoyl)-thiophen-2-yl]-benzoic acid methyl ester
CID 11710361
Methyl 4-{[(2-pyridinylthio)acetyl]amino}benzoate
CID 892607
[1-[(3-Ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 3375723
Methyl 4-(3-fluorophenyl)thieno[2,3-c]pyridine-2-carboxylate
CID 49830796

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[(3-fluoropyridine-4-carbonyl)amino]phenyl]-5-methylthiophene-2-carboxylate?
The IUPAC name of methyl 4-[4-[(3-fluoropyridine-4-carbonyl)amino]phenyl]-5-methylthiophene-2-carboxylate (CID 24875780) is methyl 4-[4-[(3-fluoropyridine-4-carbonyl)amino]phenyl]-5-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 4-[4-[(3-fluoropyridine-4-carbonyl)amino]phenyl]-5-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 4-[4-[(3-fluoropyridine-4-carbonyl)amino]phenyl]-5-methylthiophene-2-carboxylate is COC(=O)c1cc(-c2ccc(NC(=O)c3ccncc3F)cc2)c(C)s1.
What is the InChIKey of methyl 4-[4-[(3-fluoropyridine-4-carbonyl)amino]phenyl]-5-methylthiophene-2-carboxylate?
The InChIKey is LYCOWRFYJATDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3S/c1-11-15(9-17(26-11)19(24)25-2)12-3-5-13(6-4-12)22-18(23)14-7-8-21-10-16(14)20/h3-10H,1-2H3,(H,22,23).
What are the key properties of methyl 4-[4-[(3-fluoropyridine-4-carbonyl)amino]phenyl]-5-methylthiophene-2-carboxylate?
methyl 4-[4-[(3-fluoropyridine-4-carbonyl)amino]phenyl]-5-methylthiophene-2-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[(3-fluoropyridine-4-carbonyl)amino]phenyl]-5-methylthiophene-2-carboxylate is sourced from PubChem (CID 24875780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).