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

C13H11ClFN3O — CID 55042419

IUPAC3-chloro-N-(4-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C13H11ClFN3O/c1-16-11-7-6-10(14)12(18-11)13(19)17-9-4-2-8(15)3-5-9/h2-7H,1H3,(H,16,18)(H,17,19)
InChIKeyHPSZWOCRDHJQPJ-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.17
Rot. Bonds3

About 3-chloro-N-(4-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide

3-chloro-N-(4-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide (PubChem CID 55042419) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is 3-chloro-N-(4-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(4-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide
PubChem CID55042419
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC Name3-chloro-N-(4-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C13H11ClFN3O/c1-16-11-7-6-10(14)12(18-11)13(19)17-9-4-2-8(15)3-5-9/h2-7H,1H3,(H,16,18)(H,17,19)
InChIKeyHPSZWOCRDHJQPJ-UHFFFAOYSA-N
XLogP3.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-(4-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide (CID 55042419) is 3-chloro-N-(4-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(4-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(4-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide is CNc1ccc(Cl)c(C(=O)Nc2ccc(F)cc2)n1.
What is the InChIKey of 3-chloro-N-(4-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide?
The InChIKey is HPSZWOCRDHJQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c1-16-11-7-6-10(14)12(18-11)13(19)17-9-4-2-8(15)3-5-9/h2-7H,1H3,(H,16,18)(H,17,19).
What are the key properties of 3-chloro-N-(4-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide?
3-chloro-N-(4-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide has a molecular weight of 279.70 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 55042419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).