N-[4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]phenyl]acetamide

C21H17N3O3 — CID 118725941

IUPACN-[4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]phenyl]acetamide
SMILESCOc1cccc(-c2cc(-c3ccc(NC(C)=O)cc3)c(C#N)c(=O)[nH]2)c1
InChIInChI=1S/C21H17N3O3/c1-13(25)23-16-8-6-14(7-9-16)18-11-20(24-21(26)19(18)12-22)15-4-3-5-17(10-15)27-2/h3-11H,1-2H3,(H,23,25)(H,24,26)
InChIKeySLZNDCNKKFZQMN-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.55
Rot. Bonds4

About N-[4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]phenyl]acetamide

N-[4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]phenyl]acetamide (PubChem CID 118725941) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]phenyl]acetamide
PubChem CID118725941
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC NameN-[4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]phenyl]acetamide
SMILESCOc1cccc(-c2cc(-c3ccc(NC(C)=O)cc3)c(C#N)c(=O)[nH]2)c1
InChIInChI=1S/C21H17N3O3/c1-13(25)23-16-8-6-14(7-9-16)18-11-20(24-21(26)19(18)12-22)15-4-3-5-17(10-15)27-2/h3-11H,1-2H3,(H,23,25)(H,24,26)
InChIKeySLZNDCNKKFZQMN-UHFFFAOYSA-N
XLogP3.55
TPSA94.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]phenyl]acetamide (CID 118725941) is N-[4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]phenyl]acetamide is COc1cccc(-c2cc(-c3ccc(NC(C)=O)cc3)c(C#N)c(=O)[nH]2)c1.
What is the InChIKey of N-[4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]phenyl]acetamide?
The InChIKey is SLZNDCNKKFZQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-13(25)23-16-8-6-14(7-9-16)18-11-20(24-21(26)19(18)12-22)15-4-3-5-17(10-15)27-2/h3-11H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]phenyl]acetamide?
N-[4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]phenyl]acetamide has a molecular weight of 359.39 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]phenyl]acetamide is sourced from PubChem (CID 118725941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).