N-[4-(azetidin-3-ylidenemethyl)-3-fluorophenyl]-6-chloropyridine-3-carboxamide

C16H13ClFN3O — CID 118903444

IUPACN-[4-(azetidin-3-ylidenemethyl)-3-fluorophenyl]-6-chloropyridine-3-carboxamide
SMILESO=C(Nc1ccc(C=C2CNC2)c(F)c1)c1ccc(Cl)nc1
InChIInChI=1S/C16H13ClFN3O/c17-15-4-2-12(9-20-15)16(22)21-13-3-1-11(14(18)6-13)5-10-7-19-8-10/h1-6,9,19H,7-8H2,(H,21,22)
InChIKeyJRPFLFRLHZLELP-UHFFFAOYSA-N
MW317.75 g/mol
LogP3.11
Rot. Bonds3

About N-[4-(azetidin-3-ylidenemethyl)-3-fluorophenyl]-6-chloropyridine-3-carboxamide

N-[4-(azetidin-3-ylidenemethyl)-3-fluorophenyl]-6-chloropyridine-3-carboxamide (PubChem CID 118903444) has the molecular formula C16H13ClFN3O and a molecular weight of 317.75 g/mol. Its IUPAC name is N-[4-(azetidin-3-ylidenemethyl)-3-fluorophenyl]-6-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(azetidin-3-ylidenemethyl)-3-fluorophenyl]-6-chloropyridine-3-carboxamide
PubChem CID118903444
Molecular FormulaC16H13ClFN3O
Molecular Weight317.75 g/mol
Exact Mass317.07
IUPAC NameN-[4-(azetidin-3-ylidenemethyl)-3-fluorophenyl]-6-chloropyridine-3-carboxamide
SMILESO=C(Nc1ccc(C=C2CNC2)c(F)c1)c1ccc(Cl)nc1
InChIInChI=1S/C16H13ClFN3O/c17-15-4-2-12(9-20-15)16(22)21-13-3-1-11(14(18)6-13)5-10-7-19-8-10/h1-6,9,19H,7-8H2,(H,21,22)
InChIKeyJRPFLFRLHZLELP-UHFFFAOYSA-N
XLogP3.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.75
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 64782062
N-(4-bromo-3-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 65435923
N-(3-acetamido-4-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 60723641
6-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 113226989
6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide
CID 91312921
N-(4-bromo-3-chlorophenyl)-6-chloropyridine-3-carboxamide
CID 113278384
6-chloro-N-(5-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 43384926
6-chloro-N-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide
CID 60613227
6-chloro-N-(2-chloropyrimidin-5-yl)pyridine-3-carboxamide
CID 10125350
N-(6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 78929782
N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide
CID 103789282
6-bromo-N-(6-chloro-3-pyridinyl)pyridine-3-carboxamide
CID 79420958

Frequently Asked Questions

What is the IUPAC name of N-[4-(azetidin-3-ylidenemethyl)-3-fluorophenyl]-6-chloropyridine-3-carboxamide?
The IUPAC name of N-[4-(azetidin-3-ylidenemethyl)-3-fluorophenyl]-6-chloropyridine-3-carboxamide (CID 118903444) is N-[4-(azetidin-3-ylidenemethyl)-3-fluorophenyl]-6-chloropyridine-3-carboxamide.
What is the SMILES notation for N-[4-(azetidin-3-ylidenemethyl)-3-fluorophenyl]-6-chloropyridine-3-carboxamide?
The canonical SMILES for N-[4-(azetidin-3-ylidenemethyl)-3-fluorophenyl]-6-chloropyridine-3-carboxamide is O=C(Nc1ccc(C=C2CNC2)c(F)c1)c1ccc(Cl)nc1.
What is the InChIKey of N-[4-(azetidin-3-ylidenemethyl)-3-fluorophenyl]-6-chloropyridine-3-carboxamide?
The InChIKey is JRPFLFRLHZLELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O/c17-15-4-2-12(9-20-15)16(22)21-13-3-1-11(14(18)6-13)5-10-7-19-8-10/h1-6,9,19H,7-8H2,(H,21,22).
What are the key properties of N-[4-(azetidin-3-ylidenemethyl)-3-fluorophenyl]-6-chloropyridine-3-carboxamide?
N-[4-(azetidin-3-ylidenemethyl)-3-fluorophenyl]-6-chloropyridine-3-carboxamide has a molecular weight of 317.75 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azetidin-3-ylidenemethyl)-3-fluorophenyl]-6-chloropyridine-3-carboxamide is sourced from PubChem (CID 118903444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).