5-[6-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]-5-methoxy-2-pyridinyl]pyridine-3-carbonitrile

C17H11N5O3 — CID 143991068

IUPAC5-[6-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]-5-methoxy-2-pyridinyl]pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cncc(C#N)c2)nc1C#CC1NC(=O)NC1=O
InChIInChI=1S/C17H11N5O3/c1-25-15-5-4-12(11-6-10(7-18)8-19-9-11)20-13(15)2-3-14-16(23)22-17(24)21-14/h4-6,8-9,14H,1H3,(H2,21,22,23,24)
InChIKeyJDUJQSDXTWKEPH-UHFFFAOYSA-N
MW333.31 g/mol
LogP0.58
Rot. Bonds2

About 5-[6-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]-5-methoxy-2-pyridinyl]pyridine-3-carbonitrile

5-[6-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]-5-methoxy-2-pyridinyl]pyridine-3-carbonitrile (PubChem CID 143991068) has the molecular formula C17H11N5O3 and a molecular weight of 333.31 g/mol. Its IUPAC name is 5-[6-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]-5-methoxy-2-pyridinyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[6-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]-5-methoxy-2-pyridinyl]pyridine-3-carbonitrile
PubChem CID143991068
Molecular FormulaC17H11N5O3
Molecular Weight333.31 g/mol
Exact Mass333.09
IUPAC Name5-[6-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]-5-methoxy-2-pyridinyl]pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cncc(C#N)c2)nc1C#CC1NC(=O)NC1=O
InChIInChI=1S/C17H11N5O3/c1-25-15-5-4-12(11-6-10(7-18)8-19-9-11)20-13(15)2-3-14-16(23)22-17(24)21-14/h4-6,8-9,14H,1H3,(H2,21,22,23,24)
InChIKeyJDUJQSDXTWKEPH-UHFFFAOYSA-N
XLogP0.58
TPSA117.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-[2-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
CID 143990849
5-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
CID 82117371
5-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile
CID 25121787
5-[2-(6-methyl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione
CID 70313078
[[5-(5-cyano-3-pyridinyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-cyclopropylmethyl] N,N-diethylcarbamate
CID 90806447
1-[1-[4-(5-cyano-3-pyridinyl)-2-methoxyphenyl]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]urea
CID 176564964
5-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]phenyl]pyridine-3-carbonitrile
CID 168600206
5-[6-[(6-methoxy-2,4-dimethyl-3-pyridinyl)oxy]-5-nitro-2-pyridinyl]pyridine-3-carbonitrile
CID 176830626
5-(6-fluoro-2-pyridinyl)pyridine-3-carbonitrile
CID 71303551
5-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-4-yl]pyridine-3-carbonitrile
CID 136802883
5-[2-[4-(1-hydroxypropan-2-yl)phenyl]ethynyl]imidazolidine-2,4-dione
CID 143991186
5-[6-[8-[6-(5-cyano-3-pyridinyl)-2-pyridinyl]dibenzothiophen-2-yl]-2-pyridinyl]pyridine-3-carbonitrile
CID 118397758

Frequently Asked Questions

What is the IUPAC name of 5-[6-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]-5-methoxy-2-pyridinyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[6-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]-5-methoxy-2-pyridinyl]pyridine-3-carbonitrile (CID 143991068) is 5-[6-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]-5-methoxy-2-pyridinyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[6-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]-5-methoxy-2-pyridinyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[6-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]-5-methoxy-2-pyridinyl]pyridine-3-carbonitrile is COc1ccc(-c2cncc(C#N)c2)nc1C#CC1NC(=O)NC1=O.
What is the InChIKey of 5-[6-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]-5-methoxy-2-pyridinyl]pyridine-3-carbonitrile?
The InChIKey is JDUJQSDXTWKEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5O3/c1-25-15-5-4-12(11-6-10(7-18)8-19-9-11)20-13(15)2-3-14-16(23)22-17(24)21-14/h4-6,8-9,14H,1H3,(H2,21,22,23,24).
What are the key properties of 5-[6-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]-5-methoxy-2-pyridinyl]pyridine-3-carbonitrile?
5-[6-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]-5-methoxy-2-pyridinyl]pyridine-3-carbonitrile has a molecular weight of 333.31 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]-5-methoxy-2-pyridinyl]pyridine-3-carbonitrile is sourced from PubChem (CID 143991068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).