N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide

C21H14ClN3O3 — CID 45110136

IUPACN-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide
SMILESCc1cccc2c1C(=O)N(c1ccc(NC(=O)c3ccccn3)cc1Cl)C2=O
InChIInChI=1S/C21H14ClN3O3/c1-12-5-4-6-14-18(12)21(28)25(20(14)27)17-9-8-13(11-15(17)22)24-19(26)16-7-2-3-10-23-16/h2-11H,1H3,(H,24,26)
InChIKeyANBBLLOZDHXSOE-UHFFFAOYSA-N
MW391.81 g/mol
LogP4.10
Rot. Bonds3

About N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide

N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide (PubChem CID 45110136) has the molecular formula C21H14ClN3O3 and a molecular weight of 391.81 g/mol. Its IUPAC name is N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide
PubChem CID45110136
Molecular FormulaC21H14ClN3O3
Molecular Weight391.81 g/mol
Exact Mass391.07
IUPAC NameN-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide
SMILESCc1cccc2c1C(=O)N(c1ccc(NC(=O)c3ccccn3)cc1Cl)C2=O
InChIInChI=1S/C21H14ClN3O3/c1-12-5-4-6-14-18(12)21(28)25(20(14)27)17-9-8-13(11-15(17)22)24-19(26)16-7-2-3-10-23-16/h2-11H,1H3,(H,24,26)
InChIKeyANBBLLOZDHXSOE-UHFFFAOYSA-N
XLogP4.10
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.81
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

VU0400195
CID 46869947
N-[4-chloro-2-[(4-fluoro-1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide
CID 11373218
3-Chloro-N-(3-chloro-4-(4-chloro-1,3-dioxoisoindolin-2-yl)phenyl)picolinamide
CID 91885483
2-(2-chloropyridin-4-yl)-4-methyl-1H-isoindole-1,3(2H)-dione
CID 25134265
N-(3-chloro-2-methylphenyl)-4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)butanamide
CID 4604410
3-amino-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide
CID 127046557
3-amino-N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide
CID 127046558
3-amino-N-[3-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide
CID 127046775
3-amino-N-[4-(4-benzyl-2-oxopyrrolidin-1-yl)-3-chlorophenyl]pyridine-2-carboxamide
CID 127047061
3-amino-N-[3-chloro-4-(1-oxo-3,4-dihydroisoquinolin-2-yl)phenyl]pyridine-2-carboxamide
CID 127047065
N-(2-Chloro-phenyl)-2-(3-propionyl-indol-1-yl)-acetamide
CID 955290
2-(3-acetylindol-1-yl)-N-(2-chlorophenyl)acetamide
CID 1088602

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide (CID 45110136) is N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide is Cc1cccc2c1C(=O)N(c1ccc(NC(=O)c3ccccn3)cc1Cl)C2=O.
What is the InChIKey of N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is ANBBLLOZDHXSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O3/c1-12-5-4-6-14-18(12)21(28)25(20(14)27)17-9-8-13(11-15(17)22)24-19(26)16-7-2-3-10-23-16/h2-11H,1H3,(H,24,26).
What are the key properties of N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide?
N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 391.81 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 45110136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).