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

C21H14ClN3O3 — CID 45110009

IUPACN-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)c2ccc(Cl)cc2C1=O
InChIInChI=1S/C21H14ClN3O3/c1-12-10-14(24-19(26)17-4-2-3-9-23-17)6-8-18(12)25-20(27)15-7-5-13(22)11-16(15)21(25)28/h2-11H,1H3,(H,24,26)
InChIKeyLIDZVBSYPUFKDP-UHFFFAOYSA-N
MW391.81 g/mol
LogP4.10
Rot. Bonds3

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

N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pyridine-2-carboxamide (PubChem CID 45110009) has the molecular formula C21H14ClN3O3 and a molecular weight of 391.81 g/mol. Its IUPAC name is N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pyridine-2-carboxamide
PubChem CID45110009
Molecular FormulaC21H14ClN3O3
Molecular Weight391.81 g/mol
Exact Mass391.07
IUPAC NameN-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)c2ccc(Cl)cc2C1=O
InChIInChI=1S/C21H14ClN3O3/c1-12-10-14(24-19(26)17-4-2-3-9-23-17)6-8-18(12)25-20(27)15-7-5-13(22)11-16(15)21(25)28/h2-11H,1H3,(H,24,26)
InChIKeyLIDZVBSYPUFKDP-UHFFFAOYSA-N
XLogP4.10
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.81
LogP ≤ 54.10
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

4-chloro-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]benzamide
CID 19165779
N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide
CID 19169546
N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-phenoxyacetamide
CID 19169553
N-[3-chloro-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide
CID 45110764
5-chloro-2-[2-methyl-4-(quinolin-4-ylamino)phenyl]isoindole-1,3-dione
CID 54431941
N-[3-chloro-4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]-1-methylimidazole-2-carboxamide
CID 127028298
1-(N-tert-butyl-S-phenylsulfonimidoyl)-3-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]urea
CID 20799235
N-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7900395
N-(3-amino-4-methylphenyl)pyridine-2-carboxamide
CID 24707912
N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 2571943
5-chloro-2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]isoindole-1,3-dione
CID 168581302
N-[4-(4-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide
CID 4186370

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pyridine-2-carboxamide (CID 45110009) is N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pyridine-2-carboxamide is Cc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)c2ccc(Cl)cc2C1=O.
What is the InChIKey of N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pyridine-2-carboxamide?
The InChIKey is LIDZVBSYPUFKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O3/c1-12-10-14(24-19(26)17-4-2-3-9-23-17)6-8-18(12)25-20(27)15-7-5-13(22)11-16(15)21(25)28/h2-11H,1H3,(H,24,26).
What are the key properties of N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pyridine-2-carboxamide?
N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pyridine-2-carboxamide has a molecular weight of 391.81 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 45110009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).