2-N-(3-chlorocyclobutyl)-4-N-(4-phenyl-3-pyridinyl)pyridine-2,4-dicarboxamide

C22H19ClN4O2 — CID 141452842

IUPAC2-N-(3-chlorocyclobutyl)-4-N-(4-phenyl-3-pyridinyl)pyridine-2,4-dicarboxamide
SMILESO=C(Nc1cnccc1-c1ccccc1)c1ccnc(C(=O)NC2CC(Cl)C2)c1
InChIInChI=1S/C22H19ClN4O2/c23-16-11-17(12-16)26-22(29)19-10-15(6-9-25-19)21(28)27-20-13-24-8-7-18(20)14-4-2-1-3-5-14/h1-10,13,16-17H,11-12H2,(H,26,29)(H,27,28)
InChIKeyGPHDFRBFGUUUEC-UHFFFAOYSA-N
MW406.87 g/mol
LogP3.90
Rot. Bonds5

About 2-N-(3-chlorocyclobutyl)-4-N-(4-phenyl-3-pyridinyl)pyridine-2,4-dicarboxamide

2-N-(3-chlorocyclobutyl)-4-N-(4-phenyl-3-pyridinyl)pyridine-2,4-dicarboxamide (PubChem CID 141452842) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is 2-N-(3-chlorocyclobutyl)-4-N-(4-phenyl-3-pyridinyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-chlorocyclobutyl)-4-N-(4-phenyl-3-pyridinyl)pyridine-2,4-dicarboxamide
PubChem CID141452842
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC Name2-N-(3-chlorocyclobutyl)-4-N-(4-phenyl-3-pyridinyl)pyridine-2,4-dicarboxamide
SMILESO=C(Nc1cnccc1-c1ccccc1)c1ccnc(C(=O)NC2CC(Cl)C2)c1
InChIInChI=1S/C22H19ClN4O2/c23-16-11-17(12-16)26-22(29)19-10-15(6-9-25-19)21(28)27-20-13-24-8-7-18(20)14-4-2-1-3-5-14/h1-10,13,16-17H,11-12H2,(H,26,29)(H,27,28)
InChIKeyGPHDFRBFGUUUEC-UHFFFAOYSA-N
XLogP3.90
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chlorocyclobutyl)-4-N-(4-phenyl-3-pyridinyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(3-chlorocyclobutyl)-4-N-(4-phenyl-3-pyridinyl)pyridine-2,4-dicarboxamide (CID 141452842) is 2-N-(3-chlorocyclobutyl)-4-N-(4-phenyl-3-pyridinyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3-chlorocyclobutyl)-4-N-(4-phenyl-3-pyridinyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3-chlorocyclobutyl)-4-N-(4-phenyl-3-pyridinyl)pyridine-2,4-dicarboxamide is O=C(Nc1cnccc1-c1ccccc1)c1ccnc(C(=O)NC2CC(Cl)C2)c1.
What is the InChIKey of 2-N-(3-chlorocyclobutyl)-4-N-(4-phenyl-3-pyridinyl)pyridine-2,4-dicarboxamide?
The InChIKey is GPHDFRBFGUUUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c23-16-11-17(12-16)26-22(29)19-10-15(6-9-25-19)21(28)27-20-13-24-8-7-18(20)14-4-2-1-3-5-14/h1-10,13,16-17H,11-12H2,(H,26,29)(H,27,28).
What are the key properties of 2-N-(3-chlorocyclobutyl)-4-N-(4-phenyl-3-pyridinyl)pyridine-2,4-dicarboxamide?
2-N-(3-chlorocyclobutyl)-4-N-(4-phenyl-3-pyridinyl)pyridine-2,4-dicarboxamide has a molecular weight of 406.87 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chlorocyclobutyl)-4-N-(4-phenyl-3-pyridinyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 141452842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).