4-[(4-hydroxyphenyl)methyl-pyridin-3-ylamino]benzonitrile

C19H15N3O — CID 23508486

IUPAC4-[(4-hydroxyphenyl)methyl-pyridin-3-ylamino]benzonitrile
SMILESN#Cc1ccc(N(Cc2ccc(O)cc2)c2cccnc2)cc1
InChIInChI=1S/C19H15N3O/c20-12-15-3-7-17(8-4-15)22(18-2-1-11-21-13-18)14-16-5-9-19(23)10-6-16/h1-11,13,23H,14H2
InChIKeyHSTPZBBCOXMTJH-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.00
Rot. Bonds4

About 4-[(4-hydroxyphenyl)methyl-pyridin-3-ylamino]benzonitrile

4-[(4-hydroxyphenyl)methyl-pyridin-3-ylamino]benzonitrile (PubChem CID 23508486) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)methyl-pyridin-3-ylamino]benzonitrile.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)methyl-pyridin-3-ylamino]benzonitrile
PubChem CID23508486
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name4-[(4-hydroxyphenyl)methyl-pyridin-3-ylamino]benzonitrile
SMILESN#Cc1ccc(N(Cc2ccc(O)cc2)c2cccnc2)cc1
InChIInChI=1S/C19H15N3O/c20-12-15-3-7-17(8-4-15)22(18-2-1-11-21-13-18)14-16-5-9-19(23)10-6-16/h1-11,13,23H,14H2
InChIKeyHSTPZBBCOXMTJH-UHFFFAOYSA-N
XLogP4.00
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[pyridin-3-yl(pyrimidin-5-yl)amino]benzonitrile
CID 90710426
4-[N-benzyl-4-(N-benzyl-4-methylanilino)anilino]benzonitrile
CID 150089976
4-cyano-N-(4-cyanophenyl)-N-[(4-hydroxyphenyl)methyl]benzamide
CID 23508526
4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-pyridin-4-ylamino]benzonitrile
CID 23508429
bis(4-hydroxybenzonitrile);zirconium(2+);dichloride
CID 174392675
4-hydroxybenzonitrile
CID 53435365
4-[(pyridin-3-ylmethylamino)methyl]benzonitrile
CID 28671240
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43397555
2-[4-cyano-N-[(4-fluorophenyl)methyl]anilino]-5-methyl-N-(pyridin-3-ylmethylsulfonyl)-1,3-thiazole-4-carboxamide
CID 135354094
4-[[(4-hydroxyphenyl)methylamino]methyl]benzonitrile
CID 60776871
(E)-3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 8834576
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 3583133

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)methyl-pyridin-3-ylamino]benzonitrile?
The IUPAC name of 4-[(4-hydroxyphenyl)methyl-pyridin-3-ylamino]benzonitrile (CID 23508486) is 4-[(4-hydroxyphenyl)methyl-pyridin-3-ylamino]benzonitrile.
What is the SMILES notation for 4-[(4-hydroxyphenyl)methyl-pyridin-3-ylamino]benzonitrile?
The canonical SMILES for 4-[(4-hydroxyphenyl)methyl-pyridin-3-ylamino]benzonitrile is N#Cc1ccc(N(Cc2ccc(O)cc2)c2cccnc2)cc1.
What is the InChIKey of 4-[(4-hydroxyphenyl)methyl-pyridin-3-ylamino]benzonitrile?
The InChIKey is HSTPZBBCOXMTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c20-12-15-3-7-17(8-4-15)22(18-2-1-11-21-13-18)14-16-5-9-19(23)10-6-16/h1-11,13,23H,14H2.
What are the key properties of 4-[(4-hydroxyphenyl)methyl-pyridin-3-ylamino]benzonitrile?
4-[(4-hydroxyphenyl)methyl-pyridin-3-ylamino]benzonitrile has a molecular weight of 301.35 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)methyl-pyridin-3-ylamino]benzonitrile is sourced from PubChem (CID 23508486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).