2-(isoquinolin-5-ylamino)pyridine-4-carbonitrile

C15H10N4 — CID 43808553

IUPAC2-(isoquinolin-5-ylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2cccc3cnccc23)c1
InChIInChI=1S/C15H10N4/c16-9-11-4-7-18-15(8-11)19-14-3-1-2-12-10-17-6-5-13(12)14/h1-8,10H,(H,18,19)
InChIKeyLXBAVFUNVAXCDB-UHFFFAOYSA-N
MW246.27 g/mol
LogP3.25
Rot. Bonds2

About 2-(isoquinolin-5-ylamino)pyridine-4-carbonitrile

2-(isoquinolin-5-ylamino)pyridine-4-carbonitrile (PubChem CID 43808553) has the molecular formula C15H10N4 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(isoquinolin-5-ylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(isoquinolin-5-ylamino)pyridine-4-carbonitrile
PubChem CID43808553
Molecular FormulaC15H10N4
Molecular Weight246.27 g/mol
Exact Mass246.09
IUPAC Name2-(isoquinolin-5-ylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2cccc3cnccc23)c1
InChIInChI=1S/C15H10N4/c16-9-11-4-7-18-15(8-11)19-14-3-1-2-12-10-17-6-5-13(12)14/h1-8,10H,(H,18,19)
InChIKeyLXBAVFUNVAXCDB-UHFFFAOYSA-N
XLogP3.25
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(isoquinolin-5-ylamino)pyridine-4-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

4-amino-3-(isoquinolin-5-ylamino)benzonitrile
CID 104711588
3-fluoro-4-(isoquinolin-5-ylamino)benzonitrile
CID 43808556
2-N-isoquinolin-5-yl-4-methylpyridine-2,5-diamine
CID 79173234
4-bromo-2-(isoquinolin-5-ylamino)benzonitrile
CID 114901487
2-(pyridin-3-ylamino)pyridine-4-carbonitrile
CID 24702433
2-(quinolin-3-ylamino)pyridine-4-carbonitrile
CID 62783439
2-(3,4-dimethoxyphenyl)-4-(isoquinolin-5-ylamino)pyridine-3-carbonitrile
CID 141192111
2-anilinopyridine-4-carbonitrile
CID 24696970
N-[6-(4-methylthiophen-2-yl)pyrimidin-4-yl]isoquinolin-5-amine
CID 69159457
5-(isoquinolin-5-ylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63752319
2-(2-ethoxyanilino)pyridine-4-carbonitrile
CID 24704594
N-[3-(trifluoromethyl)phenyl]isoquinolin-5-amine
CID 170512982

Frequently Asked Questions

What is the IUPAC name of 2-(isoquinolin-5-ylamino)pyridine-4-carbonitrile?
The IUPAC name of 2-(isoquinolin-5-ylamino)pyridine-4-carbonitrile (CID 43808553) is 2-(isoquinolin-5-ylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(isoquinolin-5-ylamino)pyridine-4-carbonitrile?
The canonical SMILES for 2-(isoquinolin-5-ylamino)pyridine-4-carbonitrile is N#Cc1ccnc(Nc2cccc3cnccc23)c1.
What is the InChIKey of 2-(isoquinolin-5-ylamino)pyridine-4-carbonitrile?
The InChIKey is LXBAVFUNVAXCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4/c16-9-11-4-7-18-15(8-11)19-14-3-1-2-12-10-17-6-5-13(12)14/h1-8,10H,(H,18,19).
What are the key properties of 2-(isoquinolin-5-ylamino)pyridine-4-carbonitrile?
2-(isoquinolin-5-ylamino)pyridine-4-carbonitrile has a molecular weight of 246.27 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(isoquinolin-5-ylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 43808553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).