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

C25H20ClN3O3S — CID 55872578

IUPACN-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-cyclopentylsulfanylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1cccnc1SC1CCCC1
InChIInChI=1S/C25H20ClN3O3S/c26-20-14-15(11-12-21(20)29-24(31)17-8-3-4-9-18(17)25(29)32)28-22(30)19-10-5-13-27-23(19)33-16-6-1-2-7-16/h3-5,8-14,16H,1-2,6-7H2,(H,28,30)
InChIKeyGSCYXRZXMZKVRV-UHFFFAOYSA-N
MW477.97 g/mol
LogP5.82
Rot. Bonds5

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

N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-cyclopentylsulfanylpyridine-3-carboxamide (PubChem CID 55872578) has the molecular formula C25H20ClN3O3S and a molecular weight of 477.97 g/mol. Its IUPAC name is N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-cyclopentylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-cyclopentylsulfanylpyridine-3-carboxamide
PubChem CID55872578
Molecular FormulaC25H20ClN3O3S
Molecular Weight477.97 g/mol
Exact Mass477.09
IUPAC NameN-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-cyclopentylsulfanylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1cccnc1SC1CCCC1
InChIInChI=1S/C25H20ClN3O3S/c26-20-14-15(11-12-21(20)29-24(31)17-8-3-4-9-18(17)25(29)32)28-22(30)19-10-5-13-27-23(19)33-16-6-1-2-7-16/h3-5,8-14,16H,1-2,6-7H2,(H,28,30)
InChIKeyGSCYXRZXMZKVRV-UHFFFAOYSA-N
XLogP5.82
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.97
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-chloro-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide
CID 45110764
2,5-dichloro-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]thiophene-3-carboxamide
CID 55778635
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 55778383
2-cyclopentylsulfanyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 55875231
2-cyclopentylsulfanyl-N-[2-methyl-5-(propanoylamino)phenyl]pyridine-3-carboxamide
CID 55872571
2-cyclopentylsulfanyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyridine-3-carboxamide
CID 55873136
2-cyclopentylsulfanyl-N-(3-propoxyphenyl)pyridine-3-carboxamide
CID 55873414
2-cyclopentylsulfanyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 56556209
2-cyclopentylsulfanyl-N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide
CID 55874183
2-cyclopentylsulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide
CID 55876154
N-[3-chloro-4-(4-cyclohexyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-2-carboxamide
CID 67060315
1-tert-butyl-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-5-cyclopropylpyrazole-3-carboxamide
CID 55872575

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-cyclopentylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-cyclopentylsulfanylpyridine-3-carboxamide (CID 55872578) is N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-cyclopentylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-cyclopentylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-cyclopentylsulfanylpyridine-3-carboxamide is O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1cccnc1SC1CCCC1.
What is the InChIKey of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-cyclopentylsulfanylpyridine-3-carboxamide?
The InChIKey is GSCYXRZXMZKVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O3S/c26-20-14-15(11-12-21(20)29-24(31)17-8-3-4-9-18(17)25(29)32)28-22(30)19-10-5-13-27-23(19)33-16-6-1-2-7-16/h3-5,8-14,16H,1-2,6-7H2,(H,28,30).
What are the key properties of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-cyclopentylsulfanylpyridine-3-carboxamide?
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-cyclopentylsulfanylpyridine-3-carboxamide has a molecular weight of 477.97 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-cyclopentylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 55872578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).