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

C25H21FN2O3S — CID 68648843

IUPACN-[(3-fluorophenyl)methyl]-3-methyl-5-(2-oxo-4-phenylmethoxy-1H-pyridin-3-yl)thiophene-2-carboxamide
SMILESCc1cc(-c2c(OCc3ccccc3)cc[nH]c2=O)sc1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C25H21FN2O3S/c1-16-12-21(32-23(16)25(30)28-14-18-8-5-9-19(26)13-18)22-20(10-11-27-24(22)29)31-15-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H,27,29)(H,28,30)
InChIKeyORMBVYFTXMZWTG-UHFFFAOYSA-N
MW448.52 g/mol
LogP5.06
Rot. Bonds7

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

N-[(3-fluorophenyl)methyl]-3-methyl-5-(2-oxo-4-phenylmethoxy-1H-pyridin-3-yl)thiophene-2-carboxamide (PubChem CID 68648843) has the molecular formula C25H21FN2O3S and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-methyl-5-(2-oxo-4-phenylmethoxy-1H-pyridin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-methyl-5-(2-oxo-4-phenylmethoxy-1H-pyridin-3-yl)thiophene-2-carboxamide
PubChem CID68648843
Molecular FormulaC25H21FN2O3S
Molecular Weight448.52 g/mol
Exact Mass448.13
IUPAC NameN-[(3-fluorophenyl)methyl]-3-methyl-5-(2-oxo-4-phenylmethoxy-1H-pyridin-3-yl)thiophene-2-carboxamide
SMILESCc1cc(-c2c(OCc3ccccc3)cc[nH]c2=O)sc1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C25H21FN2O3S/c1-16-12-21(32-23(16)25(30)28-14-18-8-5-9-19(26)13-18)22-20(10-11-27-24(22)29)31-15-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H,27,29)(H,28,30)
InChIKeyORMBVYFTXMZWTG-UHFFFAOYSA-N
XLogP5.06
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)methyl]-5-(4-hydroxy-2-oxo-1H-pyridin-3-yl)-3-methylthiophene-2-carboxamide
CID 68648894
N-benzyl-3-methyl-5-[2-oxo-4-(2-phenylethoxy)-1H-pyridin-3-yl]thiophene-2-carboxamide
CID 68648682
3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 55381483
2-benzyl-N-[(3-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 135601654
2-[4-[4-[(4-fluorophenyl)methoxy]-2-oxo-1H-pyridin-3-yl]-2-methylphenoxy]acetic acid
CID 71256501
N-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 28889361
N-[(3-fluorophenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 52570640
2-chloro-N-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91820954
N-[(3-fluorophenyl)methyl]-4-methyl-2-(2-oxopiperidin-1-yl)-1,3-thiazole-5-carboxamide
CID 24799233
N-[(3-fluorophenyl)methyl]-1H-indole-6-carboxamide
CID 60764843
2-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46065670
N-[(3-fluorophenyl)methyl]-2-iodobenzamide
CID 46447840

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-methyl-5-(2-oxo-4-phenylmethoxy-1H-pyridin-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-methyl-5-(2-oxo-4-phenylmethoxy-1H-pyridin-3-yl)thiophene-2-carboxamide (CID 68648843) is N-[(3-fluorophenyl)methyl]-3-methyl-5-(2-oxo-4-phenylmethoxy-1H-pyridin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-methyl-5-(2-oxo-4-phenylmethoxy-1H-pyridin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-methyl-5-(2-oxo-4-phenylmethoxy-1H-pyridin-3-yl)thiophene-2-carboxamide is Cc1cc(-c2c(OCc3ccccc3)cc[nH]c2=O)sc1C(=O)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-methyl-5-(2-oxo-4-phenylmethoxy-1H-pyridin-3-yl)thiophene-2-carboxamide?
The InChIKey is ORMBVYFTXMZWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O3S/c1-16-12-21(32-23(16)25(30)28-14-18-8-5-9-19(26)13-18)22-20(10-11-27-24(22)29)31-15-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[(3-fluorophenyl)methyl]-3-methyl-5-(2-oxo-4-phenylmethoxy-1H-pyridin-3-yl)thiophene-2-carboxamide?
N-[(3-fluorophenyl)methyl]-3-methyl-5-(2-oxo-4-phenylmethoxy-1H-pyridin-3-yl)thiophene-2-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 5.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-methyl-5-(2-oxo-4-phenylmethoxy-1H-pyridin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 68648843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).