N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide

C16H12ClN3O3 — CID 46869943

IUPACN-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)CCC2=O)c(Cl)c1)c1ccccn1
InChIInChI=1S/C16H12ClN3O3/c17-11-9-10(19-16(23)12-3-1-2-8-18-12)4-5-13(11)20-14(21)6-7-15(20)22/h1-5,8-9H,6-7H2,(H,19,23)
InChIKeyDTEGRUAPSAGDIZ-UHFFFAOYSA-N
MW329.74 g/mol
LogP2.64
Rot. Bonds3

About N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide

N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide (PubChem CID 46869943) has the molecular formula C16H12ClN3O3 and a molecular weight of 329.74 g/mol. Its IUPAC name is N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide
PubChem CID46869943
Molecular FormulaC16H12ClN3O3
Molecular Weight329.74 g/mol
Exact Mass329.06
IUPAC NameN-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)CCC2=O)c(Cl)c1)c1ccccn1
InChIInChI=1S/C16H12ClN3O3/c17-11-9-10(19-16(23)12-3-1-2-8-18-12)4-5-13(11)20-14(21)6-7-15(20)22/h1-5,8-9H,6-7H2,(H,19,23)
InChIKeyDTEGRUAPSAGDIZ-UHFFFAOYSA-N
XLogP2.64
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 52.64
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-(2,5-dioxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide (CID 46869943) is N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(N2C(=O)CCC2=O)c(Cl)c1)c1ccccn1.
What is the InChIKey of N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is DTEGRUAPSAGDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3/c17-11-9-10(19-16(23)12-3-1-2-8-18-12)4-5-13(11)20-14(21)6-7-15(20)22/h1-5,8-9H,6-7H2,(H,19,23).
What are the key properties of N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide?
N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 329.74 g/mol, XLogP of 2.64, 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-(2,5-dioxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 46869943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).