2-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

C11H11ClF3N3O — CID 114922544

IUPAC2-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)N(CC(F)(F)F)C2CC2)c(Cl)cn1
InChIInChI=1S/C11H11ClF3N3O/c12-8-4-17-9(16)3-7(8)10(19)18(6-1-2-6)5-11(13,14)15/h3-4,6H,1-2,5H2,(H2,16,17)
InChIKeyFJNFTMOQFLZGCN-UHFFFAOYSA-N
MW293.68 g/mol
LogP2.48
Rot. Bonds3

About 2-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

2-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (PubChem CID 114922544) has the molecular formula C11H11ClF3N3O and a molecular weight of 293.68 g/mol. Its IUPAC name is 2-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
PubChem CID114922544
Molecular FormulaC11H11ClF3N3O
Molecular Weight293.68 g/mol
Exact Mass293.05
IUPAC Name2-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)N(CC(F)(F)F)C2CC2)c(Cl)cn1
InChIInChI=1S/C11H11ClF3N3O/c12-8-4-17-9(16)3-7(8)10(19)18(6-1-2-6)5-11(13,14)15/h3-4,6H,1-2,5H2,(H2,16,17)
InChIKeyFJNFTMOQFLZGCN-UHFFFAOYSA-N
XLogP2.48
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.68
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (CID 114922544) is 2-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is Nc1cc(C(=O)N(CC(F)(F)F)C2CC2)c(Cl)cn1.
What is the InChIKey of 2-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The InChIKey is FJNFTMOQFLZGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N3O/c12-8-4-17-9(16)3-7(8)10(19)18(6-1-2-6)5-11(13,14)15/h3-4,6H,1-2,5H2,(H2,16,17).
What are the key properties of 2-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
2-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide has a molecular weight of 293.68 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114922544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).