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

C21H14ClN3O3 — CID 11463475

IUPACN-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O)c1ccccn1
InChIInChI=1S/C21H14ClN3O3/c22-14-8-9-17(24-19(26)18-7-3-4-10-23-18)13(11-14)12-25-20(27)15-5-1-2-6-16(15)21(25)28/h1-11H,12H2,(H,24,26)
InChIKeyUSYDGTLOPLIFMI-UHFFFAOYSA-N
MW391.81 g/mol
LogP3.78
Rot. Bonds4

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

N-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide (PubChem CID 11463475) has the molecular formula C21H14ClN3O3 and a molecular weight of 391.81 g/mol. Its IUPAC name is N-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide
PubChem CID11463475
Molecular FormulaC21H14ClN3O3
Molecular Weight391.81 g/mol
Exact Mass391.07
IUPAC NameN-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O)c1ccccn1
InChIInChI=1S/C21H14ClN3O3/c22-14-8-9-17(24-19(26)18-7-3-4-10-23-18)13(11-14)12-25-20(27)15-5-1-2-6-16(15)21(25)28/h1-11H,12H2,(H,24,26)
InChIKeyUSYDGTLOPLIFMI-UHFFFAOYSA-N
XLogP3.78
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.81
LogP ≤ 53.78
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

Jnj-7777120
CID 4908365
1-(2-((4-Chlorophenyl)amino)-2-oxoethyl)-N-(1-isopropylpiperidin-4-YL)-1H-indole-2-carboxamide
CID 6540268
Gsk983
CID 11416123
N-[4-chloro-2-[(4-fluoro-1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide
CID 11373218
1-[(3-chlorophenyl)methyl]-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801045
(5-chloro-1H-indol-2-yl)(piperazino)methanone
CID 21638785
3-Chloro-N-(3-chloro-4-(4-chloro-1,3-dioxoisoindolin-2-yl)phenyl)picolinamide
CID 91885483
2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 57403171
2-[(4S)-7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(1S)-1-cyclohexyl-2-[4-(dimethylamino)piperidin-1-yl]ethyl]acetamide
CID 71533687
2-((S)-7-(3-Chlorophenyl)-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl)-N-((S)-1-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl)acetamide
CID 71547862
N-(3-chloro-2-methylphenyl)-4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)butanamide
CID 4604410
5-chloro-2-(piperidine-1-carbonyl)-1H-indole
CID 3939214

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide (CID 11463475) is N-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O)c1ccccn1.
What is the InChIKey of N-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide?
The InChIKey is USYDGTLOPLIFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O3/c22-14-8-9-17(24-19(26)18-7-3-4-10-23-18)13(11-14)12-25-20(27)15-5-1-2-6-16(15)21(25)28/h1-11H,12H2,(H,24,26).
What are the key properties of N-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide?
N-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide has a molecular weight of 391.81 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 11463475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).