N-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-fluoropyridine-3-carboxamide

C14H16FN5O — CID 75503671

IUPACN-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-fluoropyridine-3-carboxamide
SMILESO=C(Nc1ncn(C2CCCCC2)n1)c1cncc(F)c1
InChIInChI=1S/C14H16FN5O/c15-11-6-10(7-16-8-11)13(21)18-14-17-9-20(19-14)12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H,18,19,21)
InChIKeyJDSDFTQDKGVNHN-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.57
Rot. Bonds3

About N-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-fluoropyridine-3-carboxamide

N-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-fluoropyridine-3-carboxamide (PubChem CID 75503671) has the molecular formula C14H16FN5O and a molecular weight of 289.31 g/mol. Its IUPAC name is N-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-fluoropyridine-3-carboxamide
PubChem CID75503671
Molecular FormulaC14H16FN5O
Molecular Weight289.31 g/mol
Exact Mass289.13
IUPAC NameN-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-fluoropyridine-3-carboxamide
SMILESO=C(Nc1ncn(C2CCCCC2)n1)c1cncc(F)c1
InChIInChI=1S/C14H16FN5O/c15-11-6-10(7-16-8-11)13(21)18-14-17-9-20(19-14)12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H,18,19,21)
InChIKeyJDSDFTQDKGVNHN-UHFFFAOYSA-N
XLogP2.57
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-fluoropyridine-3-carboxamide (CID 75503671) is N-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-fluoropyridine-3-carboxamide is O=C(Nc1ncn(C2CCCCC2)n1)c1cncc(F)c1.
What is the InChIKey of N-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-fluoropyridine-3-carboxamide?
The InChIKey is JDSDFTQDKGVNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O/c15-11-6-10(7-16-8-11)13(21)18-14-17-9-20(19-14)12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H,18,19,21).
What are the key properties of N-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-fluoropyridine-3-carboxamide?
N-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-fluoropyridine-3-carboxamide has a molecular weight of 289.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 75503671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).