4-[pyridin-3-yl(pyrimidin-5-yl)amino]benzonitrile

C16H11N5 — CID 90710426

IUPAC4-[pyridin-3-yl(pyrimidin-5-yl)amino]benzonitrile
SMILESN#Cc1ccc(N(c2cccnc2)c2cncnc2)cc1
InChIInChI=1S/C16H11N5/c17-8-13-3-5-14(6-4-13)21(15-2-1-7-18-9-15)16-10-19-12-20-11-16/h1-7,9-12H
InChIKeyZSWMHFSHFKVRDO-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.21
Rot. Bonds3

About 4-[pyridin-3-yl(pyrimidin-5-yl)amino]benzonitrile

4-[pyridin-3-yl(pyrimidin-5-yl)amino]benzonitrile (PubChem CID 90710426) has the molecular formula C16H11N5 and a molecular weight of 273.30 g/mol. Its IUPAC name is 4-[pyridin-3-yl(pyrimidin-5-yl)amino]benzonitrile.

Molecular Properties

Compound Name4-[pyridin-3-yl(pyrimidin-5-yl)amino]benzonitrile
PubChem CID90710426
Molecular FormulaC16H11N5
Molecular Weight273.30 g/mol
Exact Mass273.10
IUPAC Name4-[pyridin-3-yl(pyrimidin-5-yl)amino]benzonitrile
SMILESN#Cc1ccc(N(c2cccnc2)c2cncnc2)cc1
InChIInChI=1S/C16H11N5/c17-8-13-3-5-14(6-4-13)21(15-2-1-7-18-9-15)16-10-19-12-20-11-16/h1-7,9-12H
InChIKeyZSWMHFSHFKVRDO-UHFFFAOYSA-N
XLogP3.21
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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4-[4-(7-dibenzofuran-3-ylpyren-2-yl)-N-pyridin-3-ylanilino]benzonitrile
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4-[(4-hydroxyphenyl)methyl-pyridin-3-ylamino]benzonitrile
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4-(4-cyano-N-[13-(N-phenylanilino)-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaen-6-yl]anilino)benzonitrile
CID 155600058
dichloroplatinum;bis(pyridine-3-carbonitrile)
CID 4683431
pyridine;pyrimidine-5-carbonitrile
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4-(N-[7,11-bis(N-(4-cyanophenyl)anilino)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaen-3-yl]anilino)benzonitrile
CID 67478111
4-[(15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-pyridin-3-ylamino]benzonitrile
CID 90306529
4-(N-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-4-cyanoanilino)benzonitrile
CID 102267120
4-cyano-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-[pyridin-3-yl(pyrimidin-5-yl)amino]benzonitrile?
The IUPAC name of 4-[pyridin-3-yl(pyrimidin-5-yl)amino]benzonitrile (CID 90710426) is 4-[pyridin-3-yl(pyrimidin-5-yl)amino]benzonitrile.
What is the SMILES notation for 4-[pyridin-3-yl(pyrimidin-5-yl)amino]benzonitrile?
The canonical SMILES for 4-[pyridin-3-yl(pyrimidin-5-yl)amino]benzonitrile is N#Cc1ccc(N(c2cccnc2)c2cncnc2)cc1.
What is the InChIKey of 4-[pyridin-3-yl(pyrimidin-5-yl)amino]benzonitrile?
The InChIKey is ZSWMHFSHFKVRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5/c17-8-13-3-5-14(6-4-13)21(15-2-1-7-18-9-15)16-10-19-12-20-11-16/h1-7,9-12H.
What are the key properties of 4-[pyridin-3-yl(pyrimidin-5-yl)amino]benzonitrile?
4-[pyridin-3-yl(pyrimidin-5-yl)amino]benzonitrile has a molecular weight of 273.30 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[pyridin-3-yl(pyrimidin-5-yl)amino]benzonitrile is sourced from PubChem (CID 90710426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).