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

C21H15ClN4O3 — CID 127046558

IUPAC3-amino-N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide
SMILESCc1cccc2c1C(=O)N(c1ccc(NC(=O)c3ncccc3N)cc1Cl)C2=O
InChIInChI=1S/C21H15ClN4O3/c1-11-4-2-5-13-17(11)21(29)26(20(13)28)16-8-7-12(10-14(16)22)25-19(27)18-15(23)6-3-9-24-18/h2-10H,23H2,1H3,(H,25,27)
InChIKeyGMUKIZAUXWBOSI-UHFFFAOYSA-N
MW406.83 g/mol
LogP3.68
Rot. Bonds3

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

3-amino-N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide (PubChem CID 127046558) has the molecular formula C21H15ClN4O3 and a molecular weight of 406.83 g/mol. Its IUPAC name is 3-amino-N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide
PubChem CID127046558
Molecular FormulaC21H15ClN4O3
Molecular Weight406.83 g/mol
Exact Mass406.08
IUPAC Name3-amino-N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide
SMILESCc1cccc2c1C(=O)N(c1ccc(NC(=O)c3ncccc3N)cc1Cl)C2=O
InChIInChI=1S/C21H15ClN4O3/c1-11-4-2-5-13-17(11)21(29)26(20(13)28)16-8-7-12(10-14(16)22)25-19(27)18-15(23)6-3-9-24-18/h2-10H,23H2,1H3,(H,25,27)
InChIKeyGMUKIZAUXWBOSI-UHFFFAOYSA-N
XLogP3.68
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.83
LogP ≤ 53.68
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-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide (CID 127046558) is 3-amino-N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide is Cc1cccc2c1C(=O)N(c1ccc(NC(=O)c3ncccc3N)cc1Cl)C2=O.
What is the InChIKey of 3-amino-N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is GMUKIZAUXWBOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O3/c1-11-4-2-5-13-17(11)21(29)26(20(13)28)16-8-7-12(10-14(16)22)25-19(27)18-15(23)6-3-9-24-18/h2-10H,23H2,1H3,(H,25,27).
What are the key properties of 3-amino-N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide?
3-amino-N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 406.83 g/mol, XLogP of 3.68, 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-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 127046558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).