N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-fluoropyridine-3-carboxamide

C15H18FN5O2 — CID 91796910

IUPACN-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-fluoropyridine-3-carboxamide
SMILESCCn1c(CO)nnc1C1CC(NC(=O)c2cncc(F)c2)C1
InChIInChI=1S/C15H18FN5O2/c1-2-21-13(8-22)19-20-14(21)9-4-12(5-9)18-15(23)10-3-11(16)7-17-6-10/h3,6-7,9,12,22H,2,4-5,8H2,1H3,(H,18,23)
InChIKeyOJNCVGPPNHYWEW-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.00
Rot. Bonds5

About N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-fluoropyridine-3-carboxamide

N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-fluoropyridine-3-carboxamide (PubChem CID 91796910) has the molecular formula C15H18FN5O2 and a molecular weight of 319.34 g/mol. Its IUPAC name is N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-fluoropyridine-3-carboxamide
PubChem CID91796910
Molecular FormulaC15H18FN5O2
Molecular Weight319.34 g/mol
Exact Mass319.14
IUPAC NameN-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-fluoropyridine-3-carboxamide
SMILESCCn1c(CO)nnc1C1CC(NC(=O)c2cncc(F)c2)C1
InChIInChI=1S/C15H18FN5O2/c1-2-21-13(8-22)19-20-14(21)9-4-12(5-9)18-15(23)10-3-11(16)7-17-6-10/h3,6-7,9,12,22H,2,4-5,8H2,1H3,(H,18,23)
InChIKeyOJNCVGPPNHYWEW-UHFFFAOYSA-N
XLogP1.00
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-fluoropyridine-3-carboxamide (CID 91796910) is N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-fluoropyridine-3-carboxamide is CCn1c(CO)nnc1C1CC(NC(=O)c2cncc(F)c2)C1.
What is the InChIKey of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-fluoropyridine-3-carboxamide?
The InChIKey is OJNCVGPPNHYWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O2/c1-2-21-13(8-22)19-20-14(21)9-4-12(5-9)18-15(23)10-3-11(16)7-17-6-10/h3,6-7,9,12,22H,2,4-5,8H2,1H3,(H,18,23).
What are the key properties of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-fluoropyridine-3-carboxamide?
N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-fluoropyridine-3-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 91796910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).