N-[3-chloro-4-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]-3-methylfuran-2-carboxamide

C19H12ClN3O4 — CID 122193179

IUPACN-[3-chloro-4-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccncc3C2=O)c(Cl)c1
InChIInChI=1S/C19H12ClN3O4/c1-10-5-7-27-16(10)17(24)22-11-2-3-15(14(20)8-11)23-18(25)12-4-6-21-9-13(12)19(23)26/h2-9H,1H3,(H,22,24)
InChIKeyCVGSBYQJDYXQRK-UHFFFAOYSA-N
MW381.78 g/mol
LogP3.69
Rot. Bonds3

About N-[3-chloro-4-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]-3-methylfuran-2-carboxamide

N-[3-chloro-4-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]-3-methylfuran-2-carboxamide (PubChem CID 122193179) has the molecular formula C19H12ClN3O4 and a molecular weight of 381.78 g/mol. Its IUPAC name is N-[3-chloro-4-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]-3-methylfuran-2-carboxamide
PubChem CID122193179
Molecular FormulaC19H12ClN3O4
Molecular Weight381.78 g/mol
Exact Mass381.05
IUPAC NameN-[3-chloro-4-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccncc3C2=O)c(Cl)c1
InChIInChI=1S/C19H12ClN3O4/c1-10-5-7-27-16(10)17(24)22-11-2-3-15(14(20)8-11)23-18(25)12-4-6-21-9-13(12)19(23)26/h2-9H,1H3,(H,22,24)
InChIKeyCVGSBYQJDYXQRK-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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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]-3-methylfuran-2-carboxamide (CID 122193179) is N-[3-chloro-4-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccncc3C2=O)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]-3-methylfuran-2-carboxamide?
The InChIKey is CVGSBYQJDYXQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O4/c1-10-5-7-27-16(10)17(24)22-11-2-3-15(14(20)8-11)23-18(25)12-4-6-21-9-13(12)19(23)26/h2-9H,1H3,(H,22,24).
What are the key properties of N-[3-chloro-4-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]-3-methylfuran-2-carboxamide?
N-[3-chloro-4-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]-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-[3-chloro-4-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 122193179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).