4-(cyclobutylamino)-6-(N-phenylanilino)pyridine-3-carbonitrile

C22H20N4 — CID 153375817

IUPAC4-(cyclobutylamino)-6-(N-phenylanilino)pyridine-3-carbonitrile
SMILESN#Cc1cnc(N(c2ccccc2)c2ccccc2)cc1NC1CCC1
InChIInChI=1S/C22H20N4/c23-15-17-16-24-22(14-21(17)25-18-8-7-9-18)26(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-6,10-14,16,18H,7-9H2,(H,24,25)
InChIKeyUESHIOONLBSHGE-UHFFFAOYSA-N
MW340.43 g/mol
LogP5.39
Rot. Bonds5

About 4-(cyclobutylamino)-6-(N-phenylanilino)pyridine-3-carbonitrile

4-(cyclobutylamino)-6-(N-phenylanilino)pyridine-3-carbonitrile (PubChem CID 153375817) has the molecular formula C22H20N4 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-(cyclobutylamino)-6-(N-phenylanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(cyclobutylamino)-6-(N-phenylanilino)pyridine-3-carbonitrile
PubChem CID153375817
Molecular FormulaC22H20N4
Molecular Weight340.43 g/mol
Exact Mass340.17
IUPAC Name4-(cyclobutylamino)-6-(N-phenylanilino)pyridine-3-carbonitrile
SMILESN#Cc1cnc(N(c2ccccc2)c2ccccc2)cc1NC1CCC1
InChIInChI=1S/C22H20N4/c23-15-17-16-24-22(14-21(17)25-18-8-7-9-18)26(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-6,10-14,16,18H,7-9H2,(H,24,25)
InChIKeyUESHIOONLBSHGE-UHFFFAOYSA-N
XLogP5.39
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10535560
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CID 65089574
2-(cyclobutylamino)-4-(4-methyl-1,3-thiazol-5-yl)benzonitrile
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3-[(4-methylcycloheptyl)amino]pyridine-4-carbonitrile
CID 102809585
2-[(3-propan-2-ylcyclohexyl)amino]benzonitrile
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2-(cyclohexylamino)-5-methylsulfanylbenzonitrile
CID 142534987
4-[(3-methoxycyclohexyl)amino]quinoline-2-carbonitrile
CID 133399438
4,6-bis(N-phenylanilino)benzene-1,3-dicarbonitrile
CID 156903762
4-amino-2-(cyclohexylamino)pyrimidine-5-carbonitrile
CID 4163635
2-(cyclobutylamino)-3-methylbenzonitrile
CID 107106808
4-(cycloheptylamino)-2,3-difluorobenzonitrile
CID 114017647

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylamino)-6-(N-phenylanilino)pyridine-3-carbonitrile?
The IUPAC name of 4-(cyclobutylamino)-6-(N-phenylanilino)pyridine-3-carbonitrile (CID 153375817) is 4-(cyclobutylamino)-6-(N-phenylanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(cyclobutylamino)-6-(N-phenylanilino)pyridine-3-carbonitrile?
The canonical SMILES for 4-(cyclobutylamino)-6-(N-phenylanilino)pyridine-3-carbonitrile is N#Cc1cnc(N(c2ccccc2)c2ccccc2)cc1NC1CCC1.
What is the InChIKey of 4-(cyclobutylamino)-6-(N-phenylanilino)pyridine-3-carbonitrile?
The InChIKey is UESHIOONLBSHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4/c23-15-17-16-24-22(14-21(17)25-18-8-7-9-18)26(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-6,10-14,16,18H,7-9H2,(H,24,25).
What are the key properties of 4-(cyclobutylamino)-6-(N-phenylanilino)pyridine-3-carbonitrile?
4-(cyclobutylamino)-6-(N-phenylanilino)pyridine-3-carbonitrile has a molecular weight of 340.43 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylamino)-6-(N-phenylanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 153375817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).