2-amino-6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

C11H13ClF3N3O — CID 62159834

IUPAC2-amino-6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C11H13ClF3N3O/c1-2-3-18(6-11(13,14)15)10(19)7-4-8(12)17-9(16)5-7/h4-5H,2-3,6H2,1H3,(H2,16,17)
InChIKeyHAICBYHCFPFSLP-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.73
Rot. Bonds4

About 2-amino-6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

2-amino-6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (PubChem CID 62159834) has the molecular formula C11H13ClF3N3O and a molecular weight of 295.69 g/mol. Its IUPAC name is 2-amino-6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
PubChem CID62159834
Molecular FormulaC11H13ClF3N3O
Molecular Weight295.69 g/mol
Exact Mass295.07
IUPAC Name2-amino-6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C11H13ClF3N3O/c1-2-3-18(6-11(13,14)15)10(19)7-4-8(12)17-9(16)5-7/h4-5H,2-3,6H2,1H3,(H2,16,17)
InChIKeyHAICBYHCFPFSLP-UHFFFAOYSA-N
XLogP2.73
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.73
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-amino-6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (CID 62159834) is 2-amino-6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is CCCN(CC(F)(F)F)C(=O)c1cc(N)nc(Cl)c1.
What is the InChIKey of 2-amino-6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The InChIKey is HAICBYHCFPFSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O/c1-2-3-18(6-11(13,14)15)10(19)7-4-8(12)17-9(16)5-7/h4-5H,2-3,6H2,1H3,(H2,16,17).
What are the key properties of 2-amino-6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
2-amino-6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide has a molecular weight of 295.69 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is sourced from PubChem (CID 62159834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).