N-[(6-amino-2-pyridinyl)methyl]-2-ethyl-1-oxo-3,4-dihydroisoquinoline-6-carboxamide

C18H20N4O2 — CID 59972732

IUPACN-[(6-amino-2-pyridinyl)methyl]-2-ethyl-1-oxo-3,4-dihydroisoquinoline-6-carboxamide
SMILESCCN1CCc2cc(C(=O)NCc3cccc(N)n3)ccc2C1=O
InChIInChI=1S/C18H20N4O2/c1-2-22-9-8-12-10-13(6-7-15(12)18(22)24)17(23)20-11-14-4-3-5-16(19)21-14/h3-7,10H,2,8-9,11H2,1H3,(H2,19,21)(H,20,23)
InChIKeyNGKXCBSUBPMMCJ-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.61
Rot. Bonds4

About N-[(6-amino-2-pyridinyl)methyl]-2-ethyl-1-oxo-3,4-dihydroisoquinoline-6-carboxamide

N-[(6-amino-2-pyridinyl)methyl]-2-ethyl-1-oxo-3,4-dihydroisoquinoline-6-carboxamide (PubChem CID 59972732) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)methyl]-2-ethyl-1-oxo-3,4-dihydroisoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)methyl]-2-ethyl-1-oxo-3,4-dihydroisoquinoline-6-carboxamide
PubChem CID59972732
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[(6-amino-2-pyridinyl)methyl]-2-ethyl-1-oxo-3,4-dihydroisoquinoline-6-carboxamide
SMILESCCN1CCc2cc(C(=O)NCc3cccc(N)n3)ccc2C1=O
InChIInChI=1S/C18H20N4O2/c1-2-22-9-8-12-10-13(6-7-15(12)18(22)24)17(23)20-11-14-4-3-5-16(19)21-14/h3-7,10H,2,8-9,11H2,1H3,(H2,19,21)(H,20,23)
InChIKeyNGKXCBSUBPMMCJ-UHFFFAOYSA-N
XLogP1.61
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(6-amino-2-pyridinyl)methyl]-2-ethyl-1-oxo-3,4-dihydroisoquinoline-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[6-[(6-amino-2-pyridinyl)methyl-methylcarbamoyl]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate
CID 57116298
N-[(6-methyl-2-pyridinyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 87041730
6-(benzylamino)-2-ethyl-3,4-dihydroisoquinolin-1-one
CID 137422672
2-cyclohexyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 86820762
N-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 138041888
2-ethyl-5-hydroxy-3,4-dihydroisoquinolin-1-one
CID 71778155
6-(2,6-dichloro-4-hydrazinylphenoxy)-2-ethyl-3,4-dihydroisoquinolin-1-one
CID 162758049
3-[[2-[(6-amino-2-pyridinyl)methyl]-3-oxo-1H-isoindole-5-carbonyl]amino]propanoic acid;dimethyl 4-(bromomethyl)benzene-1,3-dicarboxylate;methyl 3-[[2-[(6-amino-2-pyridinyl)methyl]-3-oxo-1H-isoindole-5-carbonyl]amino]propanoate;methyl 2-[(6-amino-2-pyridinyl)methyl]-3-oxo-1H-isoindole-5-carboxylate
CID 159338160
3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide
CID 109053648
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041675
2-amino-6-chloro-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 55057389
1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[(2-hydroxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide
CID 71018529

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)methyl]-2-ethyl-1-oxo-3,4-dihydroisoquinoline-6-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)methyl]-2-ethyl-1-oxo-3,4-dihydroisoquinoline-6-carboxamide (CID 59972732) is N-[(6-amino-2-pyridinyl)methyl]-2-ethyl-1-oxo-3,4-dihydroisoquinoline-6-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)methyl]-2-ethyl-1-oxo-3,4-dihydroisoquinoline-6-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)methyl]-2-ethyl-1-oxo-3,4-dihydroisoquinoline-6-carboxamide is CCN1CCc2cc(C(=O)NCc3cccc(N)n3)ccc2C1=O.
What is the InChIKey of N-[(6-amino-2-pyridinyl)methyl]-2-ethyl-1-oxo-3,4-dihydroisoquinoline-6-carboxamide?
The InChIKey is NGKXCBSUBPMMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-2-22-9-8-12-10-13(6-7-15(12)18(22)24)17(23)20-11-14-4-3-5-16(19)21-14/h3-7,10H,2,8-9,11H2,1H3,(H2,19,21)(H,20,23).
What are the key properties of N-[(6-amino-2-pyridinyl)methyl]-2-ethyl-1-oxo-3,4-dihydroisoquinoline-6-carboxamide?
N-[(6-amino-2-pyridinyl)methyl]-2-ethyl-1-oxo-3,4-dihydroisoquinoline-6-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)methyl]-2-ethyl-1-oxo-3,4-dihydroisoquinoline-6-carboxamide is sourced from PubChem (CID 59972732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).