2-amino-6-chloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide

C14H13ClFN3O — CID 62160562

IUPAC2-amino-6-chloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1cc(N)nc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C14H13ClFN3O/c1-8(9-2-4-11(16)5-3-9)18-14(20)10-6-12(15)19-13(17)7-10/h2-8H,1H3,(H2,17,19)(H,18,20)
InChIKeyOUWOZYBVLPZPDQ-UHFFFAOYSA-N
MW293.73 g/mol
LogP2.95
Rot. Bonds3

About 2-amino-6-chloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide

2-amino-6-chloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide (PubChem CID 62160562) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
PubChem CID62160562
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC Name2-amino-6-chloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1cc(N)nc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C14H13ClFN3O/c1-8(9-2-4-11(16)5-3-9)18-14(20)10-6-12(15)19-13(17)7-10/h2-8H,1H3,(H2,17,19)(H,18,20)
InChIKeyOUWOZYBVLPZPDQ-UHFFFAOYSA-N
XLogP2.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 52.95
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-amino-6-chloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide (CID 62160562) is 2-amino-6-chloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide is CC(NC(=O)c1cc(N)nc(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of 2-amino-6-chloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is OUWOZYBVLPZPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c1-8(9-2-4-11(16)5-3-9)18-14(20)10-6-12(15)19-13(17)7-10/h2-8H,1H3,(H2,17,19)(H,18,20).
What are the key properties of 2-amino-6-chloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide?
2-amino-6-chloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 293.73 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 62160562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).