6-ethoxy-N-(isoquinolin-4-ylmethyl)pyridin-3-amine

C17H17N3O — CID 115748980

IUPAC6-ethoxy-N-(isoquinolin-4-ylmethyl)pyridin-3-amine
SMILESCCOc1ccc(NCc2cncc3ccccc23)cn1
InChIInChI=1S/C17H17N3O/c1-2-21-17-8-7-15(12-20-17)19-11-14-10-18-9-13-5-3-4-6-16(13)14/h3-10,12,19H,2,11H2,1H3
InChIKeyNBQJCSLMNISUHJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.64
Rot. Bonds5

About 6-ethoxy-N-(isoquinolin-4-ylmethyl)pyridin-3-amine

6-ethoxy-N-(isoquinolin-4-ylmethyl)pyridin-3-amine (PubChem CID 115748980) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-ethoxy-N-(isoquinolin-4-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-ethoxy-N-(isoquinolin-4-ylmethyl)pyridin-3-amine
PubChem CID115748980
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name6-ethoxy-N-(isoquinolin-4-ylmethyl)pyridin-3-amine
SMILESCCOc1ccc(NCc2cncc3ccccc23)cn1
InChIInChI=1S/C17H17N3O/c1-2-21-17-8-7-15(12-20-17)19-11-14-10-18-9-13-5-3-4-6-16(13)14/h3-10,12,19H,2,11H2,1H3
InChIKeyNBQJCSLMNISUHJ-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(isoquinolin-4-ylmethylamino)benzonitrile
CID 115884762
N-(isoquinolin-4-ylmethyl)-2-methoxyaniline
CID 115884033
N-[(2-chloro-3-fluorophenyl)methyl]-6-ethoxypyridin-3-amine
CID 112652175
3-iodo-N-(isoquinolin-4-ylmethyl)-4-methylaniline
CID 115748309
1-ethyl-5-(isoquinolin-4-ylmethylamino)pyridin-2-one
CID 104503884
N-(isoquinolin-4-ylmethyl)-1-methylpyrazol-4-amine
CID 112702946
N-(isoquinolin-4-ylmethyl)-3-(methoxymethyl)aniline
CID 115748316
4-ethoxy-N-(naphthalen-1-ylmethyl)aniline
CID 964344
N-(isoquinolin-4-ylmethyl)-1,3-benzothiazol-6-amine
CID 103823632
2,6-dichloro-N-(isoquinolin-4-ylmethyl)aniline
CID 104503929
N-(isoquinolin-4-ylmethyl)quinolin-4-amine
CID 174877636
4-fluoro-N-(isoquinolin-4-ylmethyl)-2-methylaniline
CID 115884124

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(isoquinolin-4-ylmethyl)pyridin-3-amine?
The IUPAC name of 6-ethoxy-N-(isoquinolin-4-ylmethyl)pyridin-3-amine (CID 115748980) is 6-ethoxy-N-(isoquinolin-4-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 6-ethoxy-N-(isoquinolin-4-ylmethyl)pyridin-3-amine?
The canonical SMILES for 6-ethoxy-N-(isoquinolin-4-ylmethyl)pyridin-3-amine is CCOc1ccc(NCc2cncc3ccccc23)cn1.
What is the InChIKey of 6-ethoxy-N-(isoquinolin-4-ylmethyl)pyridin-3-amine?
The InChIKey is NBQJCSLMNISUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-21-17-8-7-15(12-20-17)19-11-14-10-18-9-13-5-3-4-6-16(13)14/h3-10,12,19H,2,11H2,1H3.
What are the key properties of 6-ethoxy-N-(isoquinolin-4-ylmethyl)pyridin-3-amine?
6-ethoxy-N-(isoquinolin-4-ylmethyl)pyridin-3-amine has a molecular weight of 279.34 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(isoquinolin-4-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 115748980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).