N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-fluoropyridine-4-carboxamide

C18H17FN4O2 — CID 111485579

IUPACN-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-fluoropyridine-4-carboxamide
SMILESN#Cc1cc(NC(=O)c2ccnc(F)c2)ccc1N1CCC(O)CC1
InChIInChI=1S/C18H17FN4O2/c19-17-10-12(3-6-21-17)18(25)22-14-1-2-16(13(9-14)11-20)23-7-4-15(24)5-8-23/h1-3,6,9-10,15,24H,4-5,7-8H2,(H,22,25)
InChIKeyWFLNUTSKPKXTFI-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.31
Rot. Bonds3

About N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-fluoropyridine-4-carboxamide

N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-fluoropyridine-4-carboxamide (PubChem CID 111485579) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-fluoropyridine-4-carboxamide
PubChem CID111485579
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC NameN-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-fluoropyridine-4-carboxamide
SMILESN#Cc1cc(NC(=O)c2ccnc(F)c2)ccc1N1CCC(O)CC1
InChIInChI=1S/C18H17FN4O2/c19-17-10-12(3-6-21-17)18(25)22-14-1-2-16(13(9-14)11-20)23-7-4-15(24)5-8-23/h1-3,6,9-10,15,24H,4-5,7-8H2,(H,22,25)
InChIKeyWFLNUTSKPKXTFI-UHFFFAOYSA-N
XLogP2.31
TPSA89.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-fluoropyridine-4-carboxamide (CID 111485579) is N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-fluoropyridine-4-carboxamide is N#Cc1cc(NC(=O)c2ccnc(F)c2)ccc1N1CCC(O)CC1.
What is the InChIKey of N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-fluoropyridine-4-carboxamide?
The InChIKey is WFLNUTSKPKXTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-17-10-12(3-6-21-17)18(25)22-14-1-2-16(13(9-14)11-20)23-7-4-15(24)5-8-23/h1-3,6,9-10,15,24H,4-5,7-8H2,(H,22,25).
What are the key properties of N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-fluoropyridine-4-carboxamide?
N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-fluoropyridine-4-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 111485579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).