2-amino-6-(2-hydroxyethylamino)-4-phenylpyridine-3,5-dicarbonitrile

C15H13N5O — CID 86127467

IUPAC2-amino-6-(2-hydroxyethylamino)-4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(NCCO)c(C#N)c1-c1ccccc1
InChIInChI=1S/C15H13N5O/c16-8-11-13(10-4-2-1-3-5-10)12(9-17)15(19-6-7-21)20-14(11)18/h1-5,21H,6-7H2,(H3,18,19,20)
InChIKeyYPHJTIOKMSXXEV-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.48
Rot. Bonds4

About 2-amino-6-(2-hydroxyethylamino)-4-phenylpyridine-3,5-dicarbonitrile

2-amino-6-(2-hydroxyethylamino)-4-phenylpyridine-3,5-dicarbonitrile (PubChem CID 86127467) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-amino-6-(2-hydroxyethylamino)-4-phenylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-hydroxyethylamino)-4-phenylpyridine-3,5-dicarbonitrile
PubChem CID86127467
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name2-amino-6-(2-hydroxyethylamino)-4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(NCCO)c(C#N)c1-c1ccccc1
InChIInChI=1S/C15H13N5O/c16-8-11-13(10-4-2-1-3-5-10)12(9-17)15(19-6-7-21)20-14(11)18/h1-5,21H,6-7H2,(H3,18,19,20)
InChIKeyYPHJTIOKMSXXEV-UHFFFAOYSA-N
XLogP1.48
TPSA118.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-hydroxyethylamino)-4-phenylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(2-hydroxyethylamino)-4-phenylpyridine-3,5-dicarbonitrile (CID 86127467) is 2-amino-6-(2-hydroxyethylamino)-4-phenylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(2-hydroxyethylamino)-4-phenylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(2-hydroxyethylamino)-4-phenylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(NCCO)c(C#N)c1-c1ccccc1.
What is the InChIKey of 2-amino-6-(2-hydroxyethylamino)-4-phenylpyridine-3,5-dicarbonitrile?
The InChIKey is YPHJTIOKMSXXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c16-8-11-13(10-4-2-1-3-5-10)12(9-17)15(19-6-7-21)20-14(11)18/h1-5,21H,6-7H2,(H3,18,19,20).
What are the key properties of 2-amino-6-(2-hydroxyethylamino)-4-phenylpyridine-3,5-dicarbonitrile?
2-amino-6-(2-hydroxyethylamino)-4-phenylpyridine-3,5-dicarbonitrile has a molecular weight of 279.30 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-hydroxyethylamino)-4-phenylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 86127467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).