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

C20H15ClN4O2 — CID 127046775

IUPAC3-amino-N-[3-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1ccc(N2Cc3ccccc3C2=O)c(Cl)c1
InChIInChI=1S/C20H15ClN4O2/c21-15-10-13(24-19(26)18-16(22)6-3-9-23-18)7-8-17(15)25-11-12-4-1-2-5-14(12)20(25)27/h1-10H,11,22H2,(H,24,26)
InChIKeyWLGIWTZAMCZKNC-UHFFFAOYSA-N
MW378.82 g/mol
LogP3.73
Rot. Bonds3

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

3-amino-N-[3-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide (PubChem CID 127046775) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is 3-amino-N-[3-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide
PubChem CID127046775
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC Name3-amino-N-[3-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1ccc(N2Cc3ccccc3C2=O)c(Cl)c1
InChIInChI=1S/C20H15ClN4O2/c21-15-10-13(24-19(26)18-16(22)6-3-9-23-18)7-8-17(15)25-11-12-4-1-2-5-14(12)20(25)27/h1-10H,11,22H2,(H,24,26)
InChIKeyWLGIWTZAMCZKNC-UHFFFAOYSA-N
XLogP3.73
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 53.73
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-(3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide (CID 127046775) is 3-amino-N-[3-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide is Nc1cccnc1C(=O)Nc1ccc(N2Cc3ccccc3C2=O)c(Cl)c1.
What is the InChIKey of 3-amino-N-[3-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is WLGIWTZAMCZKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c21-15-10-13(24-19(26)18-16(22)6-3-9-23-18)7-8-17(15)25-11-12-4-1-2-5-14(12)20(25)27/h1-10H,11,22H2,(H,24,26).
What are the key properties of 3-amino-N-[3-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide?
3-amino-N-[3-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 378.82 g/mol, XLogP of 3.73, 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-(3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 127046775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).