6-[5-[4-(dimethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile

C18H15N3O — CID 155809720

IUPAC6-[5-[4-(dimethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile
SMILESCN(C)c1ccc(-c2ccc(-c3ccc(C#N)cn3)o2)cc1
InChIInChI=1S/C18H15N3O/c1-21(2)15-6-4-14(5-7-15)17-9-10-18(22-17)16-8-3-13(11-19)12-20-16/h3-10,12H,1-2H3
InChIKeyUNNCRDPMXXLCAL-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.95
Rot. Bonds3

About 6-[5-[4-(dimethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile

6-[5-[4-(dimethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile (PubChem CID 155809720) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 6-[5-[4-(dimethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[5-[4-(dimethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile
PubChem CID155809720
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name6-[5-[4-(dimethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile
SMILESCN(C)c1ccc(-c2ccc(-c3ccc(C#N)cn3)o2)cc1
InChIInChI=1S/C18H15N3O/c1-21(2)15-6-4-14(5-7-15)17-9-10-18(22-17)16-8-3-13(11-19)12-20-16/h3-10,12H,1-2H3
InChIKeyUNNCRDPMXXLCAL-UHFFFAOYSA-N
XLogP3.95
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[5-(5-cyanofuran-2-yl)furan-2-yl]pyridine-3-carbonitrile
CID 68668959
4-[5-(5-isocyano-2-pyridinyl)furan-2-yl]benzonitrile
CID 58932604
6-(5-bromofuran-2-yl)pyridine-3-carbonitrile
CID 10911901
6-[4-(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
CID 11849612
4-[5-[4-(dimethylamino)phenyl]pyrazin-2-yl]-N,N-dimethylaniline
CID 102012408
4-(5-propan-2-ylfuran-2-yl)benzonitrile
CID 126610108
4-[5-(5-methylfuran-2-yl)furan-2-yl]benzonitrile
CID 71056646
6-[5-[(E)-but-2-en-2-yl]furan-2-yl]pyridine-3-carbonitrile;(E)-pent-3-enenitrile
CID 142904090
6-[5-(4-cyanophenyl)selenophen-2-yl]pyridine-3-carbonitrile
CID 86649440
6-(3,4-difluorophenyl)pyridine-3-carbonitrile
CID 82113723
6-naphthalen-2-ylpyridine-3-carbonitrile
CID 10537434
6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile
CID 115650122

Frequently Asked Questions

What is the IUPAC name of 6-[5-[4-(dimethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[5-[4-(dimethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile (CID 155809720) is 6-[5-[4-(dimethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[5-[4-(dimethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[5-[4-(dimethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile is CN(C)c1ccc(-c2ccc(-c3ccc(C#N)cn3)o2)cc1.
What is the InChIKey of 6-[5-[4-(dimethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile?
The InChIKey is UNNCRDPMXXLCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-21(2)15-6-4-14(5-7-15)17-9-10-18(22-17)16-8-3-13(11-19)12-20-16/h3-10,12H,1-2H3.
What are the key properties of 6-[5-[4-(dimethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile?
6-[5-[4-(dimethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile has a molecular weight of 289.34 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[4-(dimethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 155809720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).