2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-5-(2-methyltriazol-4-yl)pyridine-3-carboxamide;hydrochloride

C14H18ClFN6O2 — CID 118167935

IUPAC2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-5-(2-methyltriazol-4-yl)pyridine-3-carboxamide;hydrochloride
SMILESCl.Cn1ncc(-c2cnc(O[C@@H]3CCNC[C@@H]3F)c(C(N)=O)c2)n1
InChIInChI=1S/C14H17FN6O2.ClH/c1-21-19-7-11(20-21)8-4-9(13(16)22)14(18-5-8)23-12-2-3-17-6-10(12)15;/h4-5,7,10,12,17H,2-3,6H2,1H3,(H2,16,22);1H/t10-,12+;/m0./s1
InChIKeyCZVCLBHRAGMRLY-XOZOLZJESA-N
MW356.79 g/mol
LogP0.48
Rot. Bonds4

About 2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-5-(2-methyltriazol-4-yl)pyridine-3-carboxamide;hydrochloride

2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-5-(2-methyltriazol-4-yl)pyridine-3-carboxamide;hydrochloride (PubChem CID 118167935) has the molecular formula C14H18ClFN6O2 and a molecular weight of 356.79 g/mol. Its IUPAC name is 2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-5-(2-methyltriazol-4-yl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-5-(2-methyltriazol-4-yl)pyridine-3-carboxamide;hydrochloride
PubChem CID118167935
Molecular FormulaC14H18ClFN6O2
Molecular Weight356.79 g/mol
Exact Mass356.12
IUPAC Name2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-5-(2-methyltriazol-4-yl)pyridine-3-carboxamide;hydrochloride
SMILESCl.Cn1ncc(-c2cnc(O[C@@H]3CCNC[C@@H]3F)c(C(N)=O)c2)n1
InChIInChI=1S/C14H17FN6O2.ClH/c1-21-19-7-11(20-21)8-4-9(13(16)22)14(18-5-8)23-12-2-3-17-6-10(12)15;/h4-5,7,10,12,17H,2-3,6H2,1H3,(H2,16,22);1H/t10-,12+;/m0./s1
InChIKeyCZVCLBHRAGMRLY-XOZOLZJESA-N
XLogP0.48
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-5-(2-methyltriazol-4-yl)pyridine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-5-(2-methyltriazol-4-yl)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-5-(2-methyltriazol-4-yl)pyridine-3-carboxamide;hydrochloride (CID 118167935) is 2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-5-(2-methyltriazol-4-yl)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-5-(2-methyltriazol-4-yl)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-5-(2-methyltriazol-4-yl)pyridine-3-carboxamide;hydrochloride is Cl.Cn1ncc(-c2cnc(O[C@@H]3CCNC[C@@H]3F)c(C(N)=O)c2)n1.
What is the InChIKey of 2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-5-(2-methyltriazol-4-yl)pyridine-3-carboxamide;hydrochloride?
The InChIKey is CZVCLBHRAGMRLY-XOZOLZJESA-N. The full InChI is InChI=1S/C14H17FN6O2.ClH/c1-21-19-7-11(20-21)8-4-9(13(16)22)14(18-5-8)23-12-2-3-17-6-10(12)15;/h4-5,7,10,12,17H,2-3,6H2,1H3,(H2,16,22);1H/t10-,12+;/m0./s1.
What are the key properties of 2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-5-(2-methyltriazol-4-yl)pyridine-3-carboxamide;hydrochloride?
2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-5-(2-methyltriazol-4-yl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 356.79 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-5-(2-methyltriazol-4-yl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 118167935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).