2-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile

C14H13N3O — CID 63183198

IUPAC2-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NC(CO)c2ccccc2)c1
InChIInChI=1S/C14H13N3O/c15-9-11-6-7-16-14(8-11)17-13(10-18)12-4-2-1-3-5-12/h1-8,13,18H,10H2,(H,16,17)
InChIKeyQCIJVQYWHKUKDR-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.10
Rot. Bonds4

About 2-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile

2-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile (PubChem CID 63183198) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile
PubChem CID63183198
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NC(CO)c2ccccc2)c1
InChIInChI=1S/C14H13N3O/c15-9-11-6-7-16-14(8-11)17-13(10-18)12-4-2-1-3-5-12/h1-8,13,18H,10H2,(H,16,17)
InChIKeyQCIJVQYWHKUKDR-UHFFFAOYSA-N
XLogP2.10
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile (CID 63183198) is 2-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile is N#Cc1ccnc(NC(CO)c2ccccc2)c1.
What is the InChIKey of 2-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile?
The InChIKey is QCIJVQYWHKUKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c15-9-11-6-7-16-14(8-11)17-13(10-18)12-4-2-1-3-5-12/h1-8,13,18H,10H2,(H,16,17).
What are the key properties of 2-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile?
2-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 63183198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).