N-(pyridin-3-ylmethyl)isoquinolin-5-amine

C15H13N3 — CID 43681304

IUPACN-(pyridin-3-ylmethyl)isoquinolin-5-amine
SMILESc1cncc(CNc2cccc3cnccc23)c1
InChIInChI=1S/C15H13N3/c1-4-13-11-17-8-6-14(13)15(5-1)18-10-12-3-2-7-16-9-12/h1-9,11,18H,10H2
InChIKeyVOXOIIULSPVOHS-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.24
Rot. Bonds3

About N-(pyridin-3-ylmethyl)isoquinolin-5-amine

N-(pyridin-3-ylmethyl)isoquinolin-5-amine (PubChem CID 43681304) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)isoquinolin-5-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)isoquinolin-5-amine
PubChem CID43681304
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC NameN-(pyridin-3-ylmethyl)isoquinolin-5-amine
SMILESc1cncc(CNc2cccc3cnccc23)c1
InChIInChI=1S/C15H13N3/c1-4-13-11-17-8-6-14(13)15(5-1)18-10-12-3-2-7-16-9-12/h1-9,11,18H,10H2
InChIKeyVOXOIIULSPVOHS-UHFFFAOYSA-N
XLogP3.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(thiophen-3-ylmethyl)isoquinolin-5-amine
CID 43681310
N-[(4-propan-2-ylphenyl)methyl]isoquinolin-5-amine
CID 43229360
5-(pyridin-3-ylmethylamino)naphthalen-1-ol
CID 43742968
N-[(2-bromophenyl)methyl]isoquinolin-5-amine
CID 43229357
N-[(1-propylpyrrol-3-yl)methyl]isoquinolin-5-amine
CID 66397773
2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 22184587
N-[(2-methyl-1,3-thiazol-5-yl)methyl]isoquinolin-5-amine
CID 54868726
N-[(3-aminothiophen-2-yl)methyl]isoquinolin-5-amine
CID 66386138
2-(chloromethyl)-N-(pyridin-3-ylmethyl)aniline
CID 65024391
2-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 75356077
N-[(4-chlorothiophen-2-yl)methyl]isoquinolin-5-amine
CID 79419365
N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]isoquinolin-5-amine
CID 142430528

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)isoquinolin-5-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)isoquinolin-5-amine (CID 43681304) is N-(pyridin-3-ylmethyl)isoquinolin-5-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)isoquinolin-5-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)isoquinolin-5-amine is c1cncc(CNc2cccc3cnccc23)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)isoquinolin-5-amine?
The InChIKey is VOXOIIULSPVOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-4-13-11-17-8-6-14(13)15(5-1)18-10-12-3-2-7-16-9-12/h1-9,11,18H,10H2.
What are the key properties of N-(pyridin-3-ylmethyl)isoquinolin-5-amine?
N-(pyridin-3-ylmethyl)isoquinolin-5-amine has a molecular weight of 235.29 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)isoquinolin-5-amine is sourced from PubChem (CID 43681304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).