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

C14H13ClFN3O — CID 62165089

IUPAC2-chloro-N-[(3-fluorophenyl)methyl]-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCc2cccc(F)c2)cc(Cl)n1
InChIInChI=1S/C14H13ClFN3O/c1-17-13-7-10(6-12(15)19-13)14(20)18-8-9-3-2-4-11(16)5-9/h2-7H,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyGQWOSZDICUZBAM-UHFFFAOYSA-N
MW293.73 g/mol
LogP2.85
Rot. Bonds4

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

2-chloro-N-[(3-fluorophenyl)methyl]-6-(methylamino)pyridine-4-carboxamide (PubChem CID 62165089) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is 2-chloro-N-[(3-fluorophenyl)methyl]-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(3-fluorophenyl)methyl]-6-(methylamino)pyridine-4-carboxamide
PubChem CID62165089
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC Name2-chloro-N-[(3-fluorophenyl)methyl]-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCc2cccc(F)c2)cc(Cl)n1
InChIInChI=1S/C14H13ClFN3O/c1-17-13-7-10(6-12(15)19-13)14(20)18-8-9-3-2-4-11(16)5-9/h2-7H,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyGQWOSZDICUZBAM-UHFFFAOYSA-N
XLogP2.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 52.85
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-fluorophenyl)methyl]-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(3-fluorophenyl)methyl]-6-(methylamino)pyridine-4-carboxamide (CID 62165089) is 2-chloro-N-[(3-fluorophenyl)methyl]-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(3-fluorophenyl)methyl]-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(3-fluorophenyl)methyl]-6-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)NCc2cccc(F)c2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-[(3-fluorophenyl)methyl]-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is GQWOSZDICUZBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c1-17-13-7-10(6-12(15)19-13)14(20)18-8-9-3-2-4-11(16)5-9/h2-7H,8H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-chloro-N-[(3-fluorophenyl)methyl]-6-(methylamino)pyridine-4-carboxamide?
2-chloro-N-[(3-fluorophenyl)methyl]-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 293.73 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-fluorophenyl)methyl]-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62165089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).