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

C20H12ClN3O3 — CID 45110131

IUPACN-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1ccccn1
InChIInChI=1S/C20H12ClN3O3/c21-15-11-12(23-18(25)16-7-3-4-10-22-16)8-9-17(15)24-19(26)13-5-1-2-6-14(13)20(24)27/h1-11H,(H,23,25)
InChIKeyBXCSFHHEMVAIFH-UHFFFAOYSA-N
MW377.79 g/mol
LogP3.79
Rot. Bonds3

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

N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide (PubChem CID 45110131) has the molecular formula C20H12ClN3O3 and a molecular weight of 377.79 g/mol. Its IUPAC name is N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide
PubChem CID45110131
Molecular FormulaC20H12ClN3O3
Molecular Weight377.79 g/mol
Exact Mass377.06
IUPAC NameN-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1ccccn1
InChIInChI=1S/C20H12ClN3O3/c21-15-11-12(23-18(25)16-7-3-4-10-22-16)8-9-17(15)24-19(26)13-5-1-2-6-14(13)20(24)27/h1-11H,(H,23,25)
InChIKeyBXCSFHHEMVAIFH-UHFFFAOYSA-N
XLogP3.79
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.79
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide (CID 45110131) is N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1ccccn1.
What is the InChIKey of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is BXCSFHHEMVAIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClN3O3/c21-15-11-12(23-18(25)16-7-3-4-10-22-16)8-9-17(15)24-19(26)13-5-1-2-6-14(13)20(24)27/h1-11H,(H,23,25).
What are the key properties of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide?
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 377.79 g/mol, XLogP of 3.79, 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-(1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 45110131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).