N-(7-chloro-3-oxo-2H-isoquinolin-6-yl)-2-(pyridin-2-ylmethylamino)acetamide

C17H15ClN4O2 — CID 87609265

IUPACN-(7-chloro-3-oxo-2H-isoquinolin-6-yl)-2-(pyridin-2-ylmethylamino)acetamide
SMILESO=C(CNCc1ccccn1)Nc1cc2cc(=O)[nH]cc2cc1Cl
InChIInChI=1S/C17H15ClN4O2/c18-14-5-12-8-21-16(23)7-11(12)6-15(14)22-17(24)10-19-9-13-3-1-2-4-20-13/h1-8,19H,9-10H2,(H,21,23)(H,22,24)
InChIKeyFXBHRNGIPOXSDN-UHFFFAOYSA-N
MW342.79 g/mol
LogP2.30
Rot. Bonds5

About N-(7-chloro-3-oxo-2H-isoquinolin-6-yl)-2-(pyridin-2-ylmethylamino)acetamide

N-(7-chloro-3-oxo-2H-isoquinolin-6-yl)-2-(pyridin-2-ylmethylamino)acetamide (PubChem CID 87609265) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is N-(7-chloro-3-oxo-2H-isoquinolin-6-yl)-2-(pyridin-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(7-chloro-3-oxo-2H-isoquinolin-6-yl)-2-(pyridin-2-ylmethylamino)acetamide
PubChem CID87609265
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC NameN-(7-chloro-3-oxo-2H-isoquinolin-6-yl)-2-(pyridin-2-ylmethylamino)acetamide
SMILESO=C(CNCc1ccccn1)Nc1cc2cc(=O)[nH]cc2cc1Cl
InChIInChI=1S/C17H15ClN4O2/c18-14-5-12-8-21-16(23)7-11(12)6-15(14)22-17(24)10-19-9-13-3-1-2-4-20-13/h1-8,19H,9-10H2,(H,21,23)(H,22,24)
InChIKeyFXBHRNGIPOXSDN-UHFFFAOYSA-N
XLogP2.30
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(7-chloro-3-oxo-2H-isoquinolin-6-yl)-2-(pyridin-2-ylmethylamino)acetamide 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-(3-chloro-4-methylphenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999138
N-(2,4-dimethylphenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999125
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(pyridin-2-ylmethylamino)acetamide
CID 108999180
N-(2-chlorophenyl)-2-(2-pyridin-2-ylethylamino)acetamide
CID 28579213
N-(2-phenylsulfanylphenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 2104273
N-(3,4-difluorophenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 47107070
2-(benzylamino)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)acetamide
CID 46890138
N'-(2,5-dichlorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947580
N-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109370820
N-(2-chlorophenyl)-2-(pyridazin-3-ylmethylamino)acetamide
CID 106895695
N-(1,3-benzothiazol-2-yl)-2-(pyridin-2-ylmethylamino)acetamide
CID 17066509
N-(2-phenylethyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999079

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-3-oxo-2H-isoquinolin-6-yl)-2-(pyridin-2-ylmethylamino)acetamide?
The IUPAC name of N-(7-chloro-3-oxo-2H-isoquinolin-6-yl)-2-(pyridin-2-ylmethylamino)acetamide (CID 87609265) is N-(7-chloro-3-oxo-2H-isoquinolin-6-yl)-2-(pyridin-2-ylmethylamino)acetamide.
What is the SMILES notation for N-(7-chloro-3-oxo-2H-isoquinolin-6-yl)-2-(pyridin-2-ylmethylamino)acetamide?
The canonical SMILES for N-(7-chloro-3-oxo-2H-isoquinolin-6-yl)-2-(pyridin-2-ylmethylamino)acetamide is O=C(CNCc1ccccn1)Nc1cc2cc(=O)[nH]cc2cc1Cl.
What is the InChIKey of N-(7-chloro-3-oxo-2H-isoquinolin-6-yl)-2-(pyridin-2-ylmethylamino)acetamide?
The InChIKey is FXBHRNGIPOXSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c18-14-5-12-8-21-16(23)7-11(12)6-15(14)22-17(24)10-19-9-13-3-1-2-4-20-13/h1-8,19H,9-10H2,(H,21,23)(H,22,24).
What are the key properties of N-(7-chloro-3-oxo-2H-isoquinolin-6-yl)-2-(pyridin-2-ylmethylamino)acetamide?
N-(7-chloro-3-oxo-2H-isoquinolin-6-yl)-2-(pyridin-2-ylmethylamino)acetamide has a molecular weight of 342.79 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-3-oxo-2H-isoquinolin-6-yl)-2-(pyridin-2-ylmethylamino)acetamide is sourced from PubChem (CID 87609265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).