N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide

C21H19N3O2 — CID 57411443

IUPACN-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
SMILESCc1ccncc1-c1ccc2cc(NC(=O)C3C4COCC43)ncc2c1
InChIInChI=1S/C21H19N3O2/c1-12-4-5-22-9-16(12)14-3-2-13-7-19(23-8-15(13)6-14)24-21(25)20-17-10-26-11-18(17)20/h2-9,17-18,20H,10-11H2,1H3,(H,23,24,25)
InChIKeyQCHHMWZUXOCRPF-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.44
Rot. Bonds3

About N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide

N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 57411443) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID57411443
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
SMILESCc1ccncc1-c1ccc2cc(NC(=O)C3C4COCC43)ncc2c1
InChIInChI=1S/C21H19N3O2/c1-12-4-5-22-9-16(12)14-3-2-13-7-19(23-8-15(13)6-14)24-21(25)20-17-10-26-11-18(17)20/h2-9,17-18,20H,10-11H2,1H3,(H,23,24,25)
InChIKeyQCHHMWZUXOCRPF-UHFFFAOYSA-N
XLogP3.44
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(Isoquinolin-7-Yl)pyridin-2-Yl]cyclopropanecarboxamide
CID 91667413
N-[[3-(ethylcarbamoylamino)-5-(2-methyl-4-pyridinyl)isoquinolin-8-yl]methyl]cyclopropanecarboxamide
CID 66576336
2,2-difluoro-N-(7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 57410127
N-(7-(5-amino-4-methylpyridin-3-yl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 57410129
N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]cyclobutanecarboxamide
CID 57410245
N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide
CID 57410484
N-[7-[5-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 57410980
N-[7-[4-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 57411093
(R)-N-(3-(3-(cyclopropanecarboxamido)isoquinolin-7-yl)-4-methylphenyl)tetrahydrofuran-2-carboxamide
CID 57411209
N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]cyclobutanecarboxamide
CID 57411211
N-(7-(6-amino-4-methylpyridin-3-yl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 67974334
N-(7-(5-fluoro-2-methylpyridin-3-yl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 67974368

Frequently Asked Questions

What is the IUPAC name of N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide (CID 57411443) is N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide is Cc1ccncc1-c1ccc2cc(NC(=O)C3C4COCC43)ncc2c1.
What is the InChIKey of N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is QCHHMWZUXOCRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-12-4-5-22-9-16(12)14-3-2-13-7-19(23-8-15(13)6-14)24-21(25)20-17-10-26-11-18(17)20/h2-9,17-18,20H,10-11H2,1H3,(H,23,24,25).
What are the key properties of N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 57411443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).