5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-carbonitrile

C20H12N4 — CID 59860010

IUPAC5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2ccc3nccc(-c4ccncc4)c3c2)c1
InChIInChI=1S/C20H12N4/c21-11-14-9-17(13-23-12-14)16-1-2-20-19(10-16)18(5-8-24-20)15-3-6-22-7-4-15/h1-10,12-13H
InChIKeyJGSUHYANFJCJJL-UHFFFAOYSA-N
MW308.34 g/mol
LogP4.23
Rot. Bonds2

About 5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-carbonitrile

5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-carbonitrile (PubChem CID 59860010) has the molecular formula C20H12N4 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-carbonitrile
PubChem CID59860010
Molecular FormulaC20H12N4
Molecular Weight308.34 g/mol
Exact Mass308.11
IUPAC Name5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2ccc3nccc(-c4ccncc4)c3c2)c1
InChIInChI=1S/C20H12N4/c21-11-14-9-17(13-23-12-14)16-1-2-20-19(10-16)18(5-8-24-20)15-3-6-22-7-4-15/h1-10,12-13H
InChIKeyJGSUHYANFJCJJL-UHFFFAOYSA-N
XLogP4.23
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
CID 25121265
N,N-diethyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
CID 59860014
6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline
CID 59860126
5-[4-[11-[4-(5-cyano-3-pyridinyl)phenyl]triphenylen-2-yl]phenyl]pyridine-3-carbonitrile
CID 126542126
2-[4-[3,5-bis[4-(5-cyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-4-carbonitrile
CID 126542641
4-(4-pyridin-4-ylquinolin-6-yl)-1H-pyridin-2-one
CID 59860082
N-methyl-N-phenyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
CID 59860008
N,N-dimethyl-5-(4-phenylquinolin-6-yl)pyridine-3-sulfonamide
CID 174601275
4,6-bis(4-chlorophenyl)quinoline
CID 11187194
5-[7-(5-cyano-3-pyridinyl)dibenzofuran-3-yl]pyridine-3-carbonitrile
CID 118397843
2,3-dimethyl-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]imidazole-4-sulfonamide
CID 59859999
4-propan-2-yl-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 59860013

Frequently Asked Questions

What is the IUPAC name of 5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-carbonitrile (CID 59860010) is 5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-carbonitrile is N#Cc1cncc(-c2ccc3nccc(-c4ccncc4)c3c2)c1.
What is the InChIKey of 5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-carbonitrile?
The InChIKey is JGSUHYANFJCJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4/c21-11-14-9-17(13-23-12-14)16-1-2-20-19(10-16)18(5-8-24-20)15-3-6-22-7-4-15/h1-10,12-13H.
What are the key properties of 5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-carbonitrile?
5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-carbonitrile has a molecular weight of 308.34 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 59860010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).