N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine

C19H20N4 — CID 11722582

IUPACN-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine
SMILESc1cncc(CN2CCC(Nc3cccc4cnccc34)C2)c1
InChIInChI=1S/C19H20N4/c1-4-16-12-21-9-6-18(16)19(5-1)22-17-7-10-23(14-17)13-15-3-2-8-20-11-15/h1-6,8-9,11-12,17,22H,7,10,13-14H2
InChIKeyCTZHMGRNESGPIJ-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.32
Rot. Bonds4

About N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine

N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine (PubChem CID 11722582) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine.

Molecular Properties

Compound NameN-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine
PubChem CID11722582
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC NameN-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine
SMILESc1cncc(CN2CCC(Nc3cccc4cnccc34)C2)c1
InChIInChI=1S/C19H20N4/c1-4-16-12-21-9-6-18(16)19(5-1)22-17-7-10-23(14-17)13-15-3-2-8-20-11-15/h1-6,8-9,11-12,17,22H,7,10,13-14H2
InChIKeyCTZHMGRNESGPIJ-UHFFFAOYSA-N
XLogP3.32
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine 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

3-[[(3R)-3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]phenol
CID 44598899
N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
CID 10245294
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
CID 58024867
N-[1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine
CID 58024836
N-[1-[(4-cyclopropylsulfanylphenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
CID 57479975
N-[(3R)-1-[(4-cyclopropylsulfanylphenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
CID 59799777
1-[4-[[3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]propan-2-one
CID 59159098
N-[1-(pyrimidin-4-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine
CID 58024880
N-[[3-[[(3R)-3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methyl]acetamide
CID 58022467
methyl 3-[[3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]benzoate
CID 71465019
N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine
CID 21098440
N-[1-(3-methylbutyl)pyrrolidin-3-yl]isoquinolin-5-amine
CID 71425512

Frequently Asked Questions

What is the IUPAC name of N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine?
The IUPAC name of N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine (CID 11722582) is N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine.
What is the SMILES notation for N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine?
The canonical SMILES for N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine is c1cncc(CN2CCC(Nc3cccc4cnccc34)C2)c1.
What is the InChIKey of N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine?
The InChIKey is CTZHMGRNESGPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-4-16-12-21-9-6-18(16)19(5-1)22-17-7-10-23(14-17)13-15-3-2-8-20-11-15/h1-6,8-9,11-12,17,22H,7,10,13-14H2.
What are the key properties of N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine?
N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine has a molecular weight of 304.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine is sourced from PubChem (CID 11722582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).