5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carbonitrile

C19H16N4O — CID 122531716

IUPAC5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carbonitrile
SMILESCCc1c(-c2ccc(C#N)nc2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C19H16N4O/c1-2-16-17(13-3-6-14(9-20)22-10-13)11-23-19(21)18(16)12-4-7-15(24)8-5-12/h3-8,10-11,24H,2H2,1H3,(H2,21,23)
InChIKeySJGVVSPTNODRSW-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.53
Rot. Bonds3

About 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carbonitrile

5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carbonitrile (PubChem CID 122531716) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carbonitrile
PubChem CID122531716
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carbonitrile
SMILESCCc1c(-c2ccc(C#N)nc2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C19H16N4O/c1-2-16-17(13-3-6-14(9-20)22-10-13)11-23-19(21)18(16)12-4-7-15(24)8-5-12/h3-8,10-11,24H,2H2,1H3,(H2,21,23)
InChIKeySJGVVSPTNODRSW-UHFFFAOYSA-N
XLogP3.53
TPSA95.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carbonitrile?
The IUPAC name of 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carbonitrile (CID 122531716) is 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carbonitrile is CCc1c(-c2ccc(C#N)nc2)cnc(N)c1-c1ccc(O)cc1.
What is the InChIKey of 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carbonitrile?
The InChIKey is SJGVVSPTNODRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-2-16-17(13-3-6-14(9-20)22-10-13)11-23-19(21)18(16)12-4-7-15(24)8-5-12/h3-8,10-11,24H,2H2,1H3,(H2,21,23).
What are the key properties of 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carbonitrile?
5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carbonitrile has a molecular weight of 316.36 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carbonitrile is sourced from PubChem (CID 122531716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).