N-[3-chloro-4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide;hydrochloride

C22H17Cl2N3O3 — CID 56649211

IUPACN-[3-chloro-4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(N2C(=O)CC(c3ccccc3)C2=O)c(Cl)c1)c1ccccn1
InChIInChI=1S/C22H16ClN3O3.ClH/c23-17-12-15(25-21(28)18-8-4-5-11-24-18)9-10-19(17)26-20(27)13-16(22(26)29)14-6-2-1-3-7-14;/h1-12,16H,13H2,(H,25,28);1H
InChIKeyJZVYSVFXHFWDBQ-UHFFFAOYSA-N
MW442.30 g/mol
LogP4.46
Rot. Bonds4

About N-[3-chloro-4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide;hydrochloride

N-[3-chloro-4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide;hydrochloride (PubChem CID 56649211) has the molecular formula C22H17Cl2N3O3 and a molecular weight of 442.30 g/mol. Its IUPAC name is N-[3-chloro-4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-chloro-4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide;hydrochloride
PubChem CID56649211
Molecular FormulaC22H17Cl2N3O3
Molecular Weight442.30 g/mol
Exact Mass441.06
IUPAC NameN-[3-chloro-4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(N2C(=O)CC(c3ccccc3)C2=O)c(Cl)c1)c1ccccn1
InChIInChI=1S/C22H16ClN3O3.ClH/c23-17-12-15(25-21(28)18-8-4-5-11-24-18)9-10-19(17)26-20(27)13-16(22(26)29)14-6-2-1-3-7-14;/h1-12,16H,13H2,(H,25,28);1H
InChIKeyJZVYSVFXHFWDBQ-UHFFFAOYSA-N
XLogP4.46
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.30
LogP ≤ 54.46
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-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide
CID 45110765
N-[3-chloro-4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]pyridine-2-carboxamide
CID 53233277
N-[3-chloro-4-(4-cyclohexyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-2-carboxamide
CID 67060315
N-[3-chloro-4-(2,10-dioxo-1,3-diazecan-1-yl)phenyl]pyridine-2-carboxamide
CID 123639500
N-[3-chloro-4-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)phenyl]pyridine-2-carboxamide;N-[3-chloro-4-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)phenyl]pyridine-2-carboxamide
CID 162247668
N-[3-chloro-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide
CID 45110764
1-(2-chlorophenyl)-3-phenylpyrrolidine-2,5-dione
CID 121238704
N-[4-(3-benzyl-3-methyl-2,5-dioxo-4-propylpyrrolidin-1-yl)-3-chlorophenyl]pyridine-2-carboxamide
CID 123642268
N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 2571943
N-(3,5-dichloro-4-hydroxyphenyl)pyridine-2-carboxamide
CID 82884387
N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide
CID 58280035
N-[4-(8a-methyl-8-oxo-3-sulfanylidene-1,5,6,7-tetrahydroimidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]pyridine-2-carboxamide
CID 123454052

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-chloro-4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide;hydrochloride (CID 56649211) is N-[3-chloro-4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-chloro-4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-chloro-4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(N2C(=O)CC(c3ccccc3)C2=O)c(Cl)c1)c1ccccn1.
What is the InChIKey of N-[3-chloro-4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide;hydrochloride?
The InChIKey is JZVYSVFXHFWDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O3.ClH/c23-17-12-15(25-21(28)18-8-4-5-11-24-18)9-10-19(17)26-20(27)13-16(22(26)29)14-6-2-1-3-7-14;/h1-12,16H,13H2,(H,25,28);1H.
What are the key properties of N-[3-chloro-4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide;hydrochloride?
N-[3-chloro-4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide;hydrochloride has a molecular weight of 442.30 g/mol, XLogP of 4.46, 4 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-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 56649211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).