5-chloro-N-[4-[3-cyano-6-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]phenyl]-2-methoxybenzamide

C26H17ClFN3O3 — CID 23635659

IUPAC5-chloro-N-[4-[3-cyano-6-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]phenyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(-c2cc(-c3ccc(F)cc3)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C26H17ClFN3O3/c1-34-24-11-6-17(27)12-21(24)25(32)30-19-9-4-15(5-10-19)20-13-23(31-26(33)22(20)14-29)16-2-7-18(28)8-3-16/h2-13H,1H3,(H,30,32)(H,31,33)
InChIKeyWQNKIWPKRPNOSU-UHFFFAOYSA-N
MW473.89 g/mol
LogP5.63
Rot. Bonds5

About 5-chloro-N-[4-[3-cyano-6-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]phenyl]-2-methoxybenzamide

5-chloro-N-[4-[3-cyano-6-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]phenyl]-2-methoxybenzamide (PubChem CID 23635659) has the molecular formula C26H17ClFN3O3 and a molecular weight of 473.89 g/mol. Its IUPAC name is 5-chloro-N-[4-[3-cyano-6-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[4-[3-cyano-6-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]phenyl]-2-methoxybenzamide
PubChem CID23635659
Molecular FormulaC26H17ClFN3O3
Molecular Weight473.89 g/mol
Exact Mass473.09
IUPAC Name5-chloro-N-[4-[3-cyano-6-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]phenyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(-c2cc(-c3ccc(F)cc3)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C26H17ClFN3O3/c1-34-24-11-6-17(27)12-21(24)25(32)30-19-9-4-15(5-10-19)20-13-23(31-26(33)22(20)14-29)16-2-7-18(28)8-3-16/h2-13H,1H3,(H,30,32)(H,31,33)
InChIKeyWQNKIWPKRPNOSU-UHFFFAOYSA-N
XLogP5.63
TPSA94.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.89
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[3-cyano-6-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]phenyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[4-[3-cyano-6-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]phenyl]-2-methoxybenzamide (CID 23635659) is 5-chloro-N-[4-[3-cyano-6-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]phenyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[4-[3-cyano-6-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]phenyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[4-[3-cyano-6-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]phenyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2cc(-c3ccc(F)cc3)[nH]c(=O)c2C#N)cc1.
What is the InChIKey of 5-chloro-N-[4-[3-cyano-6-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]phenyl]-2-methoxybenzamide?
The InChIKey is WQNKIWPKRPNOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClFN3O3/c1-34-24-11-6-17(27)12-21(24)25(32)30-19-9-4-15(5-10-19)20-13-23(31-26(33)22(20)14-29)16-2-7-18(28)8-3-16/h2-13H,1H3,(H,30,32)(H,31,33).
What are the key properties of 5-chloro-N-[4-[3-cyano-6-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]phenyl]-2-methoxybenzamide?
5-chloro-N-[4-[3-cyano-6-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]phenyl]-2-methoxybenzamide has a molecular weight of 473.89 g/mol, XLogP of 5.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[3-cyano-6-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 23635659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).