N-[(3-fluorophenyl)methyl]-5-(4-hydroxy-2-oxo-1H-pyridin-3-yl)-3-methylthiophene-2-carboxamide

C18H15FN2O3S — CID 68648894

IUPACN-[(3-fluorophenyl)methyl]-5-(4-hydroxy-2-oxo-1H-pyridin-3-yl)-3-methylthiophene-2-carboxamide
SMILESCc1cc(-c2c(O)cc[nH]c2=O)sc1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C18H15FN2O3S/c1-10-7-14(15-13(22)5-6-20-17(15)23)25-16(10)18(24)21-9-11-3-2-4-12(19)8-11/h2-8H,9H2,1H3,(H,21,24)(H2,20,22,23)
InChIKeyLXDHBLOZHYHELT-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.19
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-5-(4-hydroxy-2-oxo-1H-pyridin-3-yl)-3-methylthiophene-2-carboxamide

N-[(3-fluorophenyl)methyl]-5-(4-hydroxy-2-oxo-1H-pyridin-3-yl)-3-methylthiophene-2-carboxamide (PubChem CID 68648894) has the molecular formula C18H15FN2O3S and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-5-(4-hydroxy-2-oxo-1H-pyridin-3-yl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-5-(4-hydroxy-2-oxo-1H-pyridin-3-yl)-3-methylthiophene-2-carboxamide
PubChem CID68648894
Molecular FormulaC18H15FN2O3S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC NameN-[(3-fluorophenyl)methyl]-5-(4-hydroxy-2-oxo-1H-pyridin-3-yl)-3-methylthiophene-2-carboxamide
SMILESCc1cc(-c2c(O)cc[nH]c2=O)sc1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C18H15FN2O3S/c1-10-7-14(15-13(22)5-6-20-17(15)23)25-16(10)18(24)21-9-11-3-2-4-12(19)8-11/h2-8H,9H2,1H3,(H,21,24)(H2,20,22,23)
InChIKeyLXDHBLOZHYHELT-UHFFFAOYSA-N
XLogP3.19
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)methyl]-3-methyl-5-(2-oxo-4-phenylmethoxy-1H-pyridin-3-yl)thiophene-2-carboxamide
CID 68648843
N-benzyl-3-methyl-5-[2-oxo-4-(2-phenylethoxy)-1H-pyridin-3-yl]thiophene-2-carboxamide
CID 68648682
N-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 28889361
N-[(3-fluorophenyl)methyl]-3-hydroxy-2-methylbenzamide
CID 82795234
2-chloro-N-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91820954
N-[(3-fluorophenyl)methyl]-1H-indole-6-carboxamide
CID 60764843
4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 28970018
N-[(3-fluorophenyl)methyl]-1H-indole-5-carboxamide
CID 63716942
N-[(3-fluorophenyl)methyl]-4-methyl-2-(2-oxopiperidin-1-yl)-1,3-thiazole-5-carboxamide
CID 24799233
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43583060
2-benzyl-N-[(3-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 135601654
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-5-(4-hydroxy-2-oxo-1H-pyridin-3-yl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-5-(4-hydroxy-2-oxo-1H-pyridin-3-yl)-3-methylthiophene-2-carboxamide (CID 68648894) is N-[(3-fluorophenyl)methyl]-5-(4-hydroxy-2-oxo-1H-pyridin-3-yl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-5-(4-hydroxy-2-oxo-1H-pyridin-3-yl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-5-(4-hydroxy-2-oxo-1H-pyridin-3-yl)-3-methylthiophene-2-carboxamide is Cc1cc(-c2c(O)cc[nH]c2=O)sc1C(=O)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-5-(4-hydroxy-2-oxo-1H-pyridin-3-yl)-3-methylthiophene-2-carboxamide?
The InChIKey is LXDHBLOZHYHELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S/c1-10-7-14(15-13(22)5-6-20-17(15)23)25-16(10)18(24)21-9-11-3-2-4-12(19)8-11/h2-8H,9H2,1H3,(H,21,24)(H2,20,22,23).
What are the key properties of N-[(3-fluorophenyl)methyl]-5-(4-hydroxy-2-oxo-1H-pyridin-3-yl)-3-methylthiophene-2-carboxamide?
N-[(3-fluorophenyl)methyl]-5-(4-hydroxy-2-oxo-1H-pyridin-3-yl)-3-methylthiophene-2-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-5-(4-hydroxy-2-oxo-1H-pyridin-3-yl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 68648894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).