N-[6-(4-chloro-1,3-dioxoisoindol-2-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide

C19H12ClN3O4 — CID 122196113

IUPACN-[6-(4-chloro-1,3-dioxoisoindol-2-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)nc1
InChIInChI=1S/C19H12ClN3O4/c1-10-7-8-27-16(10)17(24)22-11-5-6-14(21-9-11)23-18(25)12-3-2-4-13(20)15(12)19(23)26/h2-9H,1H3,(H,22,24)
InChIKeyQFTWJIXNCYSAOI-UHFFFAOYSA-N
MW381.78 g/mol
LogP3.69
Rot. Bonds3

About N-[6-(4-chloro-1,3-dioxoisoindol-2-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide

N-[6-(4-chloro-1,3-dioxoisoindol-2-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide (PubChem CID 122196113) has the molecular formula C19H12ClN3O4 and a molecular weight of 381.78 g/mol. Its IUPAC name is N-[6-(4-chloro-1,3-dioxoisoindol-2-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-chloro-1,3-dioxoisoindol-2-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide
PubChem CID122196113
Molecular FormulaC19H12ClN3O4
Molecular Weight381.78 g/mol
Exact Mass381.05
IUPAC NameN-[6-(4-chloro-1,3-dioxoisoindol-2-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)nc1
InChIInChI=1S/C19H12ClN3O4/c1-10-7-8-27-16(10)17(24)22-11-5-6-14(21-9-11)23-18(25)12-3-2-4-13(20)15(12)19(23)26/h2-9H,1H3,(H,22,24)
InChIKeyQFTWJIXNCYSAOI-UHFFFAOYSA-N
XLogP3.69
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.78
LogP ≤ 53.69
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-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
CID 122193177
N-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
CID 122196094
N-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-3-methylfuran-2-carboxamide
CID 122196102
N-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
CID 127034515
6-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-sulfanylethyl)pyridine-3-carboxamide
CID 170555669
3-methyl-N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]furan-2-carboxamide
CID 122196120
N-[3-chloro-4-(7-fluoro-3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
CID 127031845
3-methyl-N-(3-methylphenyl)furan-2-carboxamide
CID 38770464
N-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)-2-fluorophenyl]-3-methylfuran-2-carboxamide
CID 127030339
N-(4-aminophenyl)-3-methylfuran-2-carboxamide
CID 16772874
N-[4-(1,3-dioxoisoindol-2-yl)-2-fluoro-5-methylphenyl]-3-methylfuran-2-carboxamide
CID 162648102
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole-4-carboxamide
CID 30548402

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chloro-1,3-dioxoisoindol-2-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[6-(4-chloro-1,3-dioxoisoindol-2-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide (CID 122196113) is N-[6-(4-chloro-1,3-dioxoisoindol-2-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[6-(4-chloro-1,3-dioxoisoindol-2-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[6-(4-chloro-1,3-dioxoisoindol-2-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)nc1.
What is the InChIKey of N-[6-(4-chloro-1,3-dioxoisoindol-2-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide?
The InChIKey is QFTWJIXNCYSAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O4/c1-10-7-8-27-16(10)17(24)22-11-5-6-14(21-9-11)23-18(25)12-3-2-4-13(20)15(12)19(23)26/h2-9H,1H3,(H,22,24).
What are the key properties of N-[6-(4-chloro-1,3-dioxoisoindol-2-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide?
N-[6-(4-chloro-1,3-dioxoisoindol-2-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide has a molecular weight of 381.78 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chloro-1,3-dioxoisoindol-2-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 122196113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).