N-[(1-pyridin-3-yloxyisoquinolin-4-yl)methyl]ethanamine

C17H17N3O — CID 106777370

IUPACN-[(1-pyridin-3-yloxyisoquinolin-4-yl)methyl]ethanamine
SMILESCCNCc1cnc(Oc2cccnc2)c2ccccc12
InChIInChI=1S/C17H17N3O/c1-2-18-10-13-11-20-17(16-8-4-3-7-15(13)16)21-14-6-5-9-19-12-14/h3-9,11-12,18H,2,10H2,1H3
InChIKeySCFVGPXLHAHOKC-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.53
Rot. Bonds5

About N-[(1-pyridin-3-yloxyisoquinolin-4-yl)methyl]ethanamine

N-[(1-pyridin-3-yloxyisoquinolin-4-yl)methyl]ethanamine (PubChem CID 106777370) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(1-pyridin-3-yloxyisoquinolin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-pyridin-3-yloxyisoquinolin-4-yl)methyl]ethanamine
PubChem CID106777370
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[(1-pyridin-3-yloxyisoquinolin-4-yl)methyl]ethanamine
SMILESCCNCc1cnc(Oc2cccnc2)c2ccccc12
InChIInChI=1S/C17H17N3O/c1-2-18-10-13-11-20-17(16-8-4-3-7-15(13)16)21-14-6-5-9-19-12-14/h3-9,11-12,18H,2,10H2,1H3
InChIKeySCFVGPXLHAHOKC-UHFFFAOYSA-N
XLogP3.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-phenoxyisoquinolin-4-yl)methyl]ethanamine
CID 106777404
N-[(2-pyridin-3-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 62296510
N-tert-butyl-4-(ethylaminomethyl)isoquinolin-1-amine
CID 106776820
N-[(2-naphthalen-1-yloxy-3-pyridinyl)methyl]ethanamine
CID 62322003
2,3-dipyridin-3-yloxypyrazine
CID 139072759
1-(1-methoxyisoquinolin-4-yl)-N-methylmethanamine
CID 106777249
N-[[5-(pyridin-3-yloxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558300
N-[[3-(2-phenoxyethoxy)-4-pyridinyl]methyl]ethanamine
CID 105074999
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
N-[[3,5-dichloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 43515745
N-ethyl-4-pyridin-3-yloxybutan-1-amine
CID 62451744
N-[[4-(2-ethoxyphenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250422

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyridin-3-yloxyisoquinolin-4-yl)methyl]ethanamine?
The IUPAC name of N-[(1-pyridin-3-yloxyisoquinolin-4-yl)methyl]ethanamine (CID 106777370) is N-[(1-pyridin-3-yloxyisoquinolin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-pyridin-3-yloxyisoquinolin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-pyridin-3-yloxyisoquinolin-4-yl)methyl]ethanamine is CCNCc1cnc(Oc2cccnc2)c2ccccc12.
What is the InChIKey of N-[(1-pyridin-3-yloxyisoquinolin-4-yl)methyl]ethanamine?
The InChIKey is SCFVGPXLHAHOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-18-10-13-11-20-17(16-8-4-3-7-15(13)16)21-14-6-5-9-19-12-14/h3-9,11-12,18H,2,10H2,1H3.
What are the key properties of N-[(1-pyridin-3-yloxyisoquinolin-4-yl)methyl]ethanamine?
N-[(1-pyridin-3-yloxyisoquinolin-4-yl)methyl]ethanamine has a molecular weight of 279.34 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyridin-3-yloxyisoquinolin-4-yl)methyl]ethanamine is sourced from PubChem (CID 106777370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).