5-cyano-6-[2-[6-[ethyl(methyl)amino]-3-pyridinyl]ethenyl]pyridine-2-carboxylic acid

C17H16N4O2 — CID 127265795

IUPAC5-cyano-6-[2-[6-[ethyl(methyl)amino]-3-pyridinyl]ethenyl]pyridine-2-carboxylic acid
SMILESCCN(C)c1ccc(C=Cc2nc(C(=O)O)ccc2C#N)cn1
InChIInChI=1S/C17H16N4O2/c1-3-21(2)16-9-5-12(11-19-16)4-7-14-13(10-18)6-8-15(20-14)17(22)23/h4-9,11H,3H2,1-2H3,(H,22,23)
InChIKeyLRLXGVSEIMAVRU-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.67
Rot. Bonds5

About 5-cyano-6-[2-[6-[ethyl(methyl)amino]-3-pyridinyl]ethenyl]pyridine-2-carboxylic acid

5-cyano-6-[2-[6-[ethyl(methyl)amino]-3-pyridinyl]ethenyl]pyridine-2-carboxylic acid (PubChem CID 127265795) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-cyano-6-[2-[6-[ethyl(methyl)amino]-3-pyridinyl]ethenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-cyano-6-[2-[6-[ethyl(methyl)amino]-3-pyridinyl]ethenyl]pyridine-2-carboxylic acid
PubChem CID127265795
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name5-cyano-6-[2-[6-[ethyl(methyl)amino]-3-pyridinyl]ethenyl]pyridine-2-carboxylic acid
SMILESCCN(C)c1ccc(C=Cc2nc(C(=O)O)ccc2C#N)cn1
InChIInChI=1S/C17H16N4O2/c1-3-21(2)16-9-5-12(11-19-16)4-7-14-13(10-18)6-8-15(20-14)17(22)23/h4-9,11H,3H2,1-2H3,(H,22,23)
InChIKeyLRLXGVSEIMAVRU-UHFFFAOYSA-N
XLogP2.67
TPSA90.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-6-[2-[6-[ethyl(methyl)amino]-3-pyridinyl]ethenyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-cyano-6-[2-[6-[ethyl(methyl)amino]-3-pyridinyl]ethenyl]pyridine-2-carboxylic acid (CID 127265795) is 5-cyano-6-[2-[6-[ethyl(methyl)amino]-3-pyridinyl]ethenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-cyano-6-[2-[6-[ethyl(methyl)amino]-3-pyridinyl]ethenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-cyano-6-[2-[6-[ethyl(methyl)amino]-3-pyridinyl]ethenyl]pyridine-2-carboxylic acid is CCN(C)c1ccc(C=Cc2nc(C(=O)O)ccc2C#N)cn1.
What is the InChIKey of 5-cyano-6-[2-[6-[ethyl(methyl)amino]-3-pyridinyl]ethenyl]pyridine-2-carboxylic acid?
The InChIKey is LRLXGVSEIMAVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-3-21(2)16-9-5-12(11-19-16)4-7-14-13(10-18)6-8-15(20-14)17(22)23/h4-9,11H,3H2,1-2H3,(H,22,23).
What are the key properties of 5-cyano-6-[2-[6-[ethyl(methyl)amino]-3-pyridinyl]ethenyl]pyridine-2-carboxylic acid?
5-cyano-6-[2-[6-[ethyl(methyl)amino]-3-pyridinyl]ethenyl]pyridine-2-carboxylic acid has a molecular weight of 308.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-6-[2-[6-[ethyl(methyl)amino]-3-pyridinyl]ethenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 127265795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).