5-[5-(3-cyano-1,2-dihydropyridin-5-yl)-1-propylnaphtho[2,1-b][1]benzofuran-9-yl]pyridine-3-carbonitrile

C31H22N4O — CID 144925278

IUPAC5-[5-(3-cyano-1,2-dihydropyridin-5-yl)-1-propylnaphtho[2,1-b][1]benzofuran-9-yl]pyridine-3-carbonitrile
SMILESCCCc1cccc2c(C3=CNCC(C#N)=C3)cc3oc4cc(-c5cncc(C#N)c5)ccc4c3c12
InChIInChI=1S/C31H22N4O/c1-2-4-21-5-3-6-25-27(24-10-20(14-33)16-35-18-24)12-29-31(30(21)25)26-8-7-22(11-28(26)36-29)23-9-19(13-32)15-34-17-23/h3,5-12,15,17-18,35H,2,4,16H2,1H3
InChIKeyBGEJAMBNEAPZKQ-UHFFFAOYSA-N
MW466.54 g/mol
LogP7.02
Rot. Bonds4

About 5-[5-(3-cyano-1,2-dihydropyridin-5-yl)-1-propylnaphtho[2,1-b][1]benzofuran-9-yl]pyridine-3-carbonitrile

5-[5-(3-cyano-1,2-dihydropyridin-5-yl)-1-propylnaphtho[2,1-b][1]benzofuran-9-yl]pyridine-3-carbonitrile (PubChem CID 144925278) has the molecular formula C31H22N4O and a molecular weight of 466.54 g/mol. Its IUPAC name is 5-[5-(3-cyano-1,2-dihydropyridin-5-yl)-1-propylnaphtho[2,1-b][1]benzofuran-9-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[5-(3-cyano-1,2-dihydropyridin-5-yl)-1-propylnaphtho[2,1-b][1]benzofuran-9-yl]pyridine-3-carbonitrile
PubChem CID144925278
Molecular FormulaC31H22N4O
Molecular Weight466.54 g/mol
Exact Mass466.18
IUPAC Name5-[5-(3-cyano-1,2-dihydropyridin-5-yl)-1-propylnaphtho[2,1-b][1]benzofuran-9-yl]pyridine-3-carbonitrile
SMILESCCCc1cccc2c(C3=CNCC(C#N)=C3)cc3oc4cc(-c5cncc(C#N)c5)ccc4c3c12
InChIInChI=1S/C31H22N4O/c1-2-4-21-5-3-6-25-27(24-10-20(14-33)16-35-18-24)12-29-31(30(21)25)26-8-7-22(11-28(26)36-29)23-9-19(13-32)15-34-17-23/h3,5-12,15,17-18,35H,2,4,16H2,1H3
InChIKeyBGEJAMBNEAPZKQ-UHFFFAOYSA-N
XLogP7.02
TPSA85.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[5-(3-cyano-1,2-dihydropyridin-5-yl)-1-propylnaphtho[2,1-b][1]benzofuran-9-yl]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-[9-[4-(3-cyano-1,2-dihydropyridin-5-yl)phenyl]naphtho[2,1-b][1]benzothiol-5-yl]phenyl]pyridine-3-carbonitrile
CID 144924620
5-[7-(5-cyano-3-pyridinyl)dibenzofuran-3-yl]pyridine-3-carbonitrile
CID 118397843
5-[15-(5-cyano-3-pyridinyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]pyridine-3-carbonitrile
CID 118398217
5-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)-2-pyridinyl]pyridine-3-carbonitrile
CID 118397208
4-(6-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)pyridine-2-carbonitrile;2-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-4-carbonitrile;4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-2-carbonitrile;5-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-3-carbonitrile
CID 158486863
5-[4-[7-[4-(5-isocyano-3-pyridinyl)phenyl]dibenzofuran-3-yl]phenyl]pyridine-3-carbonitrile
CID 140769190
5-(6-naphtho[2,1-b][1]benzofuran-5-yl-2-pyridinyl)pyridine-3-carbonitrile
CID 118397923
5-[4-[11-[4-(5-cyano-3-pyridinyl)phenyl]triphenylen-2-yl]phenyl]pyridine-3-carbonitrile
CID 126542126
5-[6-[10-(4-butylphenyl)anthracen-9-yl]naphthalen-2-yl]pyridine-3-carbonitrile
CID 126542215
5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine-3-carbonitrile
CID 126502531
4-[9-[4-[3,5-diphenyl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzonitrile
CID 174304337
5-[3-[9-[3-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[c]carbazol-5-yl]phenyl]pyridine-3-carbonitrile
CID 118397718

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-cyano-1,2-dihydropyridin-5-yl)-1-propylnaphtho[2,1-b][1]benzofuran-9-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[5-(3-cyano-1,2-dihydropyridin-5-yl)-1-propylnaphtho[2,1-b][1]benzofuran-9-yl]pyridine-3-carbonitrile (CID 144925278) is 5-[5-(3-cyano-1,2-dihydropyridin-5-yl)-1-propylnaphtho[2,1-b][1]benzofuran-9-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[5-(3-cyano-1,2-dihydropyridin-5-yl)-1-propylnaphtho[2,1-b][1]benzofuran-9-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[5-(3-cyano-1,2-dihydropyridin-5-yl)-1-propylnaphtho[2,1-b][1]benzofuran-9-yl]pyridine-3-carbonitrile is CCCc1cccc2c(C3=CNCC(C#N)=C3)cc3oc4cc(-c5cncc(C#N)c5)ccc4c3c12.
What is the InChIKey of 5-[5-(3-cyano-1,2-dihydropyridin-5-yl)-1-propylnaphtho[2,1-b][1]benzofuran-9-yl]pyridine-3-carbonitrile?
The InChIKey is BGEJAMBNEAPZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N4O/c1-2-4-21-5-3-6-25-27(24-10-20(14-33)16-35-18-24)12-29-31(30(21)25)26-8-7-22(11-28(26)36-29)23-9-19(13-32)15-34-17-23/h3,5-12,15,17-18,35H,2,4,16H2,1H3.
What are the key properties of 5-[5-(3-cyano-1,2-dihydropyridin-5-yl)-1-propylnaphtho[2,1-b][1]benzofuran-9-yl]pyridine-3-carbonitrile?
5-[5-(3-cyano-1,2-dihydropyridin-5-yl)-1-propylnaphtho[2,1-b][1]benzofuran-9-yl]pyridine-3-carbonitrile has a molecular weight of 466.54 g/mol, XLogP of 7.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-cyano-1,2-dihydropyridin-5-yl)-1-propylnaphtho[2,1-b][1]benzofuran-9-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 144925278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).