2-chloro-N-(1,3-dioxoisoindol-4-yl)pyridine-3-carboxamide

C14H8ClN3O3 — CID 2428874

IUPAC2-chloro-N-(1,3-dioxoisoindol-4-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc2c1C(=O)NC2=O)c1cccnc1Cl
InChIInChI=1S/C14H8ClN3O3/c15-11-8(4-2-6-16-11)13(20)17-9-5-1-3-7-10(9)14(21)18-12(7)19/h1-6H,(H,17,20)(H,18,19,21)
InChIKeyVSKXESHQUZKVRT-UHFFFAOYSA-N
MW301.69 g/mol
LogP1.87
Rot. Bonds2

About 2-chloro-N-(1,3-dioxoisoindol-4-yl)pyridine-3-carboxamide

2-chloro-N-(1,3-dioxoisoindol-4-yl)pyridine-3-carboxamide (PubChem CID 2428874) has the molecular formula C14H8ClN3O3 and a molecular weight of 301.69 g/mol. Its IUPAC name is 2-chloro-N-(1,3-dioxoisoindol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1,3-dioxoisoindol-4-yl)pyridine-3-carboxamide
PubChem CID2428874
Molecular FormulaC14H8ClN3O3
Molecular Weight301.69 g/mol
Exact Mass301.03
IUPAC Name2-chloro-N-(1,3-dioxoisoindol-4-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc2c1C(=O)NC2=O)c1cccnc1Cl
InChIInChI=1S/C14H8ClN3O3/c15-11-8(4-2-6-16-11)13(20)17-9-5-1-3-7-10(9)14(21)18-12(7)19/h1-6H,(H,17,20)(H,18,19,21)
InChIKeyVSKXESHQUZKVRT-UHFFFAOYSA-N
XLogP1.87
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.69
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(1,3-dioxoisoindol-4-yl)benzamide
CID 9322151
3,4-dichloro-N-(1,3-dioxoisoindol-4-yl)benzamide
CID 9324882
2-chloro-N-[2-(4-fluorophenyl)phenyl]pyridine-3-carboxamide
CID 15390136
N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
CID 61375906
N-(1,3-dioxoisoindol-4-yl)-2,4-dimethylbenzamide
CID 2086901
methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
2-chloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 30336522
2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)pyridine-3-carboxamide
CID 60748520
N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyridine-3-carboxamide
CID 60630965
2-acetamido-N-(2-chloro-3-pyridinyl)benzamide
CID 13143772
N-(2-bromo-4-chlorophenyl)-2-chloropyridine-3-carboxamide
CID 81027409

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,3-dioxoisoindol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(1,3-dioxoisoindol-4-yl)pyridine-3-carboxamide (CID 2428874) is 2-chloro-N-(1,3-dioxoisoindol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(1,3-dioxoisoindol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(1,3-dioxoisoindol-4-yl)pyridine-3-carboxamide is O=C(Nc1cccc2c1C(=O)NC2=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(1,3-dioxoisoindol-4-yl)pyridine-3-carboxamide?
The InChIKey is VSKXESHQUZKVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3O3/c15-11-8(4-2-6-16-11)13(20)17-9-5-1-3-7-10(9)14(21)18-12(7)19/h1-6H,(H,17,20)(H,18,19,21).
What are the key properties of 2-chloro-N-(1,3-dioxoisoindol-4-yl)pyridine-3-carboxamide?
2-chloro-N-(1,3-dioxoisoindol-4-yl)pyridine-3-carboxamide has a molecular weight of 301.69 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,3-dioxoisoindol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 2428874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).