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

C20H13ClN4O3 — CID 127046557

IUPAC3-amino-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
InChIInChI=1S/C20H13ClN4O3/c21-14-10-11(24-18(26)17-15(22)6-3-9-23-17)7-8-16(14)25-19(27)12-4-1-2-5-13(12)20(25)28/h1-10H,22H2,(H,24,26)
InChIKeyXBKGMJNNALFSAJ-UHFFFAOYSA-N
MW392.80 g/mol
LogP3.37
Rot. Bonds3

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

3-amino-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide (PubChem CID 127046557) has the molecular formula C20H13ClN4O3 and a molecular weight of 392.80 g/mol. Its IUPAC name is 3-amino-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide
PubChem CID127046557
Molecular FormulaC20H13ClN4O3
Molecular Weight392.80 g/mol
Exact Mass392.07
IUPAC Name3-amino-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
InChIInChI=1S/C20H13ClN4O3/c21-14-10-11(24-18(26)17-15(22)6-3-9-23-17)7-8-16(14)25-19(27)12-4-1-2-5-13(12)20(25)28/h1-10H,22H2,(H,24,26)
InChIKeyXBKGMJNNALFSAJ-UHFFFAOYSA-N
XLogP3.37
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.80
LogP ≤ 53.37
H-Bond Donors ≤ 52
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 3-amino-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide (CID 127046557) is 3-amino-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide is Nc1cccnc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1.
What is the InChIKey of 3-amino-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is XBKGMJNNALFSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN4O3/c21-14-10-11(24-18(26)17-15(22)6-3-9-23-17)7-8-16(14)25-19(27)12-4-1-2-5-13(12)20(25)28/h1-10H,22H2,(H,24,26).
What are the key properties of 3-amino-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide?
3-amino-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 392.80 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 127046557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).