2-chloro-N-(2-fluorophenyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide

C14H13ClFN3O — CID 62175854

IUPAC2-chloro-N-(2-fluorophenyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)c2ccccc2F)cc(Cl)n1
InChIInChI=1S/C14H13ClFN3O/c1-17-13-8-9(7-12(15)18-13)14(20)19(2)11-6-4-3-5-10(11)16/h3-8H,1-2H3,(H,17,18)
InChIKeyOZPIPPREMYXLEQ-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.19
Rot. Bonds3

About 2-chloro-N-(2-fluorophenyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide

2-chloro-N-(2-fluorophenyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide (PubChem CID 62175854) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is 2-chloro-N-(2-fluorophenyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-fluorophenyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide
PubChem CID62175854
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC Name2-chloro-N-(2-fluorophenyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)c2ccccc2F)cc(Cl)n1
InChIInChI=1S/C14H13ClFN3O/c1-17-13-8-9(7-12(15)18-13)14(20)19(2)11-6-4-3-5-10(11)16/h3-8H,1-2H3,(H,17,18)
InChIKeyOZPIPPREMYXLEQ-UHFFFAOYSA-N
XLogP3.19
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-fluorophenyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-fluorophenyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide (CID 62175854) is 2-chloro-N-(2-fluorophenyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-fluorophenyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-fluorophenyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)N(C)c2ccccc2F)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2-fluorophenyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is OZPIPPREMYXLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c1-17-13-8-9(7-12(15)18-13)14(20)19(2)11-6-4-3-5-10(11)16/h3-8H,1-2H3,(H,17,18).
What are the key properties of 2-chloro-N-(2-fluorophenyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide?
2-chloro-N-(2-fluorophenyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 293.73 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-fluorophenyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62175854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).