3-amino-N-[3-chloro-4-(5-chloro-3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide

C20H14Cl2N4O2 — CID 127046202

IUPAC3-amino-N-[3-chloro-4-(5-chloro-3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1ccc(N2Cc3ccc(Cl)cc3C2=O)c(Cl)c1
InChIInChI=1S/C20H14Cl2N4O2/c21-12-4-3-11-10-26(20(28)14(11)8-12)17-6-5-13(9-15(17)22)25-19(27)18-16(23)2-1-7-24-18/h1-9H,10,23H2,(H,25,27)
InChIKeyBSFSWQDELBLJJG-UHFFFAOYSA-N
MW413.26 g/mol
LogP4.38
Rot. Bonds3

About 3-amino-N-[3-chloro-4-(5-chloro-3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide

3-amino-N-[3-chloro-4-(5-chloro-3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide (PubChem CID 127046202) has the molecular formula C20H14Cl2N4O2 and a molecular weight of 413.26 g/mol. Its IUPAC name is 3-amino-N-[3-chloro-4-(5-chloro-3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-chloro-4-(5-chloro-3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide
PubChem CID127046202
Molecular FormulaC20H14Cl2N4O2
Molecular Weight413.26 g/mol
Exact Mass412.05
IUPAC Name3-amino-N-[3-chloro-4-(5-chloro-3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1ccc(N2Cc3ccc(Cl)cc3C2=O)c(Cl)c1
InChIInChI=1S/C20H14Cl2N4O2/c21-12-4-3-11-10-26(20(28)14(11)8-12)17-6-5-13(9-15(17)22)25-19(27)18-16(23)2-1-7-24-18/h1-9H,10,23H2,(H,25,27)
InChIKeyBSFSWQDELBLJJG-UHFFFAOYSA-N
XLogP4.38
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.26
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-chloro-4-(5-chloro-3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-chloro-4-(5-chloro-3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide (CID 127046202) is 3-amino-N-[3-chloro-4-(5-chloro-3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-chloro-4-(5-chloro-3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-chloro-4-(5-chloro-3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide is Nc1cccnc1C(=O)Nc1ccc(N2Cc3ccc(Cl)cc3C2=O)c(Cl)c1.
What is the InChIKey of 3-amino-N-[3-chloro-4-(5-chloro-3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is BSFSWQDELBLJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4O2/c21-12-4-3-11-10-26(20(28)14(11)8-12)17-6-5-13(9-15(17)22)25-19(27)18-16(23)2-1-7-24-18/h1-9H,10,23H2,(H,25,27).
What are the key properties of 3-amino-N-[3-chloro-4-(5-chloro-3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide?
3-amino-N-[3-chloro-4-(5-chloro-3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 413.26 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-chloro-4-(5-chloro-3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 127046202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).