6-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]pyridine-2-carbonitrile

C14H14N4O — CID 64587805

IUPAC6-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NCC(O)c2ccc(N)cc2)n1
InChIInChI=1S/C14H14N4O/c15-8-12-2-1-3-14(18-12)17-9-13(19)10-4-6-11(16)7-5-10/h1-7,13,19H,9,16H2,(H,17,18)
InChIKeyRBVDNUHDBAKYFW-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.68
Rot. Bonds4

About 6-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]pyridine-2-carbonitrile

6-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]pyridine-2-carbonitrile (PubChem CID 64587805) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]pyridine-2-carbonitrile
PubChem CID64587805
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name6-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NCC(O)c2ccc(N)cc2)n1
InChIInChI=1S/C14H14N4O/c15-8-12-2-1-3-14(18-12)17-9-13(19)10-4-6-11(16)7-5-10/h1-7,13,19H,9,16H2,(H,17,18)
InChIKeyRBVDNUHDBAKYFW-UHFFFAOYSA-N
XLogP1.68
TPSA94.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]pyridine-2-carbonitrile (CID 64587805) is 6-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]pyridine-2-carbonitrile is N#Cc1cccc(NCC(O)c2ccc(N)cc2)n1.
What is the InChIKey of 6-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]pyridine-2-carbonitrile?
The InChIKey is RBVDNUHDBAKYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-8-12-2-1-3-14(18-12)17-9-13(19)10-4-6-11(16)7-5-10/h1-7,13,19H,9,16H2,(H,17,18).
What are the key properties of 6-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]pyridine-2-carbonitrile?
6-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]pyridine-2-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 64587805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).