N'-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-N-pyridin-3-yloxamide

C22H18N6O2 — CID 155477961

IUPACN'-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-N-pyridin-3-yloxamide
SMILESCc1ccncc1-c1cc(N)c2cnc(NC(=O)C(=O)Nc3cccnc3)cc2c1
InChIInChI=1S/C22H18N6O2/c1-13-4-6-25-11-17(13)14-7-15-9-20(26-12-18(15)19(23)8-14)28-22(30)21(29)27-16-3-2-5-24-10-16/h2-12H,23H2,1H3,(H,27,29)(H,26,28,30)
InChIKeyIMDOBCUTXQQANC-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.16
Rot. Bonds3

About N'-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-N-pyridin-3-yloxamide

N'-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-N-pyridin-3-yloxamide (PubChem CID 155477961) has the molecular formula C22H18N6O2 and a molecular weight of 398.43 g/mol. Its IUPAC name is N'-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-N-pyridin-3-yloxamide.

Molecular Properties

Compound NameN'-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-N-pyridin-3-yloxamide
PubChem CID155477961
Molecular FormulaC22H18N6O2
Molecular Weight398.43 g/mol
Exact Mass398.15
IUPAC NameN'-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-N-pyridin-3-yloxamide
SMILESCc1ccncc1-c1cc(N)c2cnc(NC(=O)C(=O)Nc3cccnc3)cc2c1
InChIInChI=1S/C22H18N6O2/c1-13-4-6-25-11-17(13)14-7-15-9-20(26-12-18(15)19(23)8-14)28-22(30)21(29)27-16-3-2-5-24-10-16/h2-12H,23H2,1H3,(H,27,29)(H,26,28,30)
InChIKeyIMDOBCUTXQQANC-UHFFFAOYSA-N
XLogP3.16
TPSA122.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-N-pyridin-3-yloxamide with MolForge

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Related Compounds

N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-N'-(1-benzylpyrazol-4-yl)oxamide
CID 155478332
N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-cyclobutylidene-2-(3-phenylanilino)acetamide
CID 155478247
N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 155478600
N'-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-N-[[(1S)-2-(cyanomethyl)cyclopropyl]methyl]oxamide
CID 155477728
cis-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 161200786
(1S,2R,3S)-N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-(cyanomethyl)-3-methylcyclopropane-1-carboxamide
CID 167844823
N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-N'-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]oxamide
CID 155477943
N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-(3-cyano-3-methylcyclobutylidene)acetamide
CID 155478667
N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-N'-(1-benzylsulfonyl-3-cyanoazetidin-3-yl)oxamide
CID 155477955
N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-N'-[4-cyano-1-[1-(4-cyanophenyl)cyclopropyl]piperidin-4-yl]oxamide
CID 155477741
4-[2-[[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-2-oxoethylidene]-N,N-dimethylpiperidine-1-carboxamide
CID 155478306
4-[2-[[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-2-oxoethylidene]-N-cyclobutylcyclohexane-1-carboxamide
CID 155478676

Frequently Asked Questions

What is the IUPAC name of N'-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-N-pyridin-3-yloxamide?
The IUPAC name of N'-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-N-pyridin-3-yloxamide (CID 155477961) is N'-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-N-pyridin-3-yloxamide.
What is the SMILES notation for N'-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-N-pyridin-3-yloxamide?
The canonical SMILES for N'-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-N-pyridin-3-yloxamide is Cc1ccncc1-c1cc(N)c2cnc(NC(=O)C(=O)Nc3cccnc3)cc2c1.
What is the InChIKey of N'-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-N-pyridin-3-yloxamide?
The InChIKey is IMDOBCUTXQQANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O2/c1-13-4-6-25-11-17(13)14-7-15-9-20(26-12-18(15)19(23)8-14)28-22(30)21(29)27-16-3-2-5-24-10-16/h2-12H,23H2,1H3,(H,27,29)(H,26,28,30).
What are the key properties of N'-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-N-pyridin-3-yloxamide?
N'-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-N-pyridin-3-yloxamide has a molecular weight of 398.43 g/mol, XLogP of 3.16, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-N-pyridin-3-yloxamide is sourced from PubChem (CID 155477961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).