1-ethyl-5-(isoquinolin-4-ylmethylamino)pyridin-2-one

C17H17N3O — CID 104503884

IUPAC1-ethyl-5-(isoquinolin-4-ylmethylamino)pyridin-2-one
SMILESCCn1cc(NCc2cncc3ccccc23)ccc1=O
InChIInChI=1S/C17H17N3O/c1-2-20-12-15(7-8-17(20)21)19-11-14-10-18-9-13-5-3-4-6-16(13)14/h3-10,12,19H,2,11H2,1H3
InChIKeyHNOZHPPLMNVNGO-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.03
Rot. Bonds4

About 1-ethyl-5-(isoquinolin-4-ylmethylamino)pyridin-2-one

1-ethyl-5-(isoquinolin-4-ylmethylamino)pyridin-2-one (PubChem CID 104503884) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-ethyl-5-(isoquinolin-4-ylmethylamino)pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-5-(isoquinolin-4-ylmethylamino)pyridin-2-one
PubChem CID104503884
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-ethyl-5-(isoquinolin-4-ylmethylamino)pyridin-2-one
SMILESCCn1cc(NCc2cncc3ccccc23)ccc1=O
InChIInChI=1S/C17H17N3O/c1-2-20-12-15(7-8-17(20)21)19-11-14-10-18-9-13-5-3-4-6-16(13)14/h3-10,12,19H,2,11H2,1H3
InChIKeyHNOZHPPLMNVNGO-UHFFFAOYSA-N
XLogP3.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(isoquinolin-4-ylmethyl)-1-methylpyrazol-4-amine
CID 112702946
4-(isoquinolin-4-ylmethylamino)benzonitrile
CID 115884762
6-ethoxy-N-(isoquinolin-4-ylmethyl)pyridin-3-amine
CID 115748980
5-[(2-ethoxyphenyl)methylamino]-1-ethylpyridin-2-one
CID 60944031
5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-ethylpyridin-2-one
CID 79579074
5-[(2,4-dihydroxyphenyl)methylamino]-1-ethylpyridin-2-one
CID 54864095
1-ethyl-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyridin-2-one
CID 112668948
3-iodo-N-(isoquinolin-4-ylmethyl)-4-methylaniline
CID 115748309
1-ethyl-5-[(4-ethylphenyl)methylamino]pyridin-2-one
CID 54864000
5-[(2,6-difluorophenyl)methylamino]-1-ethylpyridin-2-one
CID 54864001
1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridin-2-one
CID 54863936
5-[(2-methylphenyl)methylamino]-1-propylpyridin-2-one
CID 54863932

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(isoquinolin-4-ylmethylamino)pyridin-2-one?
The IUPAC name of 1-ethyl-5-(isoquinolin-4-ylmethylamino)pyridin-2-one (CID 104503884) is 1-ethyl-5-(isoquinolin-4-ylmethylamino)pyridin-2-one.
What is the SMILES notation for 1-ethyl-5-(isoquinolin-4-ylmethylamino)pyridin-2-one?
The canonical SMILES for 1-ethyl-5-(isoquinolin-4-ylmethylamino)pyridin-2-one is CCn1cc(NCc2cncc3ccccc23)ccc1=O.
What is the InChIKey of 1-ethyl-5-(isoquinolin-4-ylmethylamino)pyridin-2-one?
The InChIKey is HNOZHPPLMNVNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-20-12-15(7-8-17(20)21)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 1-ethyl-5-(isoquinolin-4-ylmethylamino)pyridin-2-one?
1-ethyl-5-(isoquinolin-4-ylmethylamino)pyridin-2-one has a molecular weight of 279.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(isoquinolin-4-ylmethylamino)pyridin-2-one is sourced from PubChem (CID 104503884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).