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

C16H12ClN3O3 — CID 58280035

IUPACN-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)CCC2=O)c(Cl)c1)c1ccncc1
InChIInChI=1S/C16H12ClN3O3/c17-12-9-11(19-16(23)10-5-7-18-8-6-10)1-2-13(12)20-14(21)3-4-15(20)22/h1-2,5-9H,3-4H2,(H,19,23)
InChIKeyOVBZSEKCZKLEDV-UHFFFAOYSA-N
MW329.74 g/mol
LogP2.64
Rot. Bonds3

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

N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide (PubChem CID 58280035) 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-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide
PubChem CID58280035
Molecular FormulaC16H12ClN3O3
Molecular Weight329.74 g/mol
Exact Mass329.06
IUPAC NameN-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)CCC2=O)c(Cl)c1)c1ccncc1
InChIInChI=1S/C16H12ClN3O3/c17-12-9-11(19-16(23)10-5-7-18-8-6-10)1-2-13(12)20-14(21)3-4-15(20)22/h1-2,5-9H,3-4H2,(H,19,23)
InChIKeyOVBZSEKCZKLEDV-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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Related Compounds

N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide
CID 142663321
N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756427
N-[3-chloro-4-(2,10-dioxo-1,3-diazecan-1-yl)phenyl]pyridine-2-carboxamide
CID 123639500
N-(4-chloro-3-fluorophenyl)pyridine-4-carboxamide
CID 47228006
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55710849
N-[4-[(2-chlorophenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 56688132
N-(2,4,5-trichlorophenyl)pyridine-4-carboxamide
CID 4098506
N-(4,5-dichloro-2-fluorophenyl)pyridine-4-carboxamide
CID 100692060
4-chloro-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide
CID 46467877
N-(3-chloro-4-ethoxyphenyl)pyridine-4-carboxamide
CID 110777433
3,4-dichloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzamide
CID 16926773
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24603747

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide (CID 58280035) is N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide is O=C(Nc1ccc(N2C(=O)CCC2=O)c(Cl)c1)c1ccncc1.
What is the InChIKey of N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is OVBZSEKCZKLEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3/c17-12-9-11(19-16(23)10-5-7-18-8-6-10)1-2-13(12)20-14(21)3-4-15(20)22/h1-2,5-9H,3-4H2,(H,19,23).
What are the key properties of N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide?
N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyridine-4-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-4-carboxamide is sourced from PubChem (CID 58280035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).