2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide

C15H13N3O3 — CID 168585220

IUPAC2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide
SMILESCc1cc(-c2cccc(OCC(N)=O)c2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C15H13N3O3/c1-9-5-12(13(7-16)15(20)18-9)10-3-2-4-11(6-10)21-8-14(17)19/h2-6H,8H2,1H3,(H2,17,19)(H,18,20)
InChIKeyKQMBIMWRKKSNQH-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.09
Rot. Bonds4

About 2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide

2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide (PubChem CID 168585220) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide
PubChem CID168585220
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide
SMILESCc1cc(-c2cccc(OCC(N)=O)c2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C15H13N3O3/c1-9-5-12(13(7-16)15(20)18-9)10-3-2-4-11(6-10)21-8-14(17)19/h2-6H,8H2,1H3,(H2,17,19)(H,18,20)
InChIKeyKQMBIMWRKKSNQH-UHFFFAOYSA-N
XLogP1.09
TPSA108.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetic acid
CID 168586784
2-[2-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide
CID 168586865
4-[3-[(2-fluorophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586741
4-[3-(4-cyanophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585760
3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoic acid
CID 168585684
4-[2-(3-methoxyphenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584675
4-(3-cyanophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584520
4-[3-(3-hydroxyphenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584648
4-[3-[(5-bromo-2-pyridinyl)oxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585983
N-tert-butyl-2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide
CID 168586858
4-[3,5-bis(phenylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586733
2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]acetic acid
CID 168587366

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide?
The IUPAC name of 2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide (CID 168585220) is 2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide.
What is the SMILES notation for 2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide?
The canonical SMILES for 2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide is Cc1cc(-c2cccc(OCC(N)=O)c2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide?
The InChIKey is KQMBIMWRKKSNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-9-5-12(13(7-16)15(20)18-9)10-3-2-4-11(6-10)21-8-14(17)19/h2-6H,8H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of 2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide?
2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide has a molecular weight of 283.29 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide is sourced from PubChem (CID 168585220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).