2-benzyl-N-[2-[(2R)-2-fluoromorpholin-2-yl]ethyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide

C22H25FN6O2 — CID 164613493

IUPAC2-benzyl-N-[2-[(2R)-2-fluoromorpholin-2-yl]ethyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide
SMILESCn1cc(-c2cc(C(=O)NCC[C@@]3(F)CNCCO3)cc(Cc3ccccc3)n2)nn1
InChIInChI=1S/C22H25FN6O2/c1-29-14-20(27-28-29)19-13-17(12-18(26-19)11-16-5-3-2-4-6-16)21(30)25-8-7-22(23)15-24-9-10-31-22/h2-6,12-14,24H,7-11,15H2,1H3,(H,25,30)/t22-/m0/s1
InChIKeyPXVIRZDBCBAWQE-QFIPXVFZSA-N
MW424.48 g/mol
LogP1.87
Rot. Bonds7

About 2-benzyl-N-[2-[(2R)-2-fluoromorpholin-2-yl]ethyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide

2-benzyl-N-[2-[(2R)-2-fluoromorpholin-2-yl]ethyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide (PubChem CID 164613493) has the molecular formula C22H25FN6O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is 2-benzyl-N-[2-[(2R)-2-fluoromorpholin-2-yl]ethyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[2-[(2R)-2-fluoromorpholin-2-yl]ethyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide
PubChem CID164613493
Molecular FormulaC22H25FN6O2
Molecular Weight424.48 g/mol
Exact Mass424.20
IUPAC Name2-benzyl-N-[2-[(2R)-2-fluoromorpholin-2-yl]ethyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide
SMILESCn1cc(-c2cc(C(=O)NCC[C@@]3(F)CNCCO3)cc(Cc3ccccc3)n2)nn1
InChIInChI=1S/C22H25FN6O2/c1-29-14-20(27-28-29)19-13-17(12-18(26-19)11-16-5-3-2-4-6-16)21(30)25-8-7-22(23)15-24-9-10-31-22/h2-6,12-14,24H,7-11,15H2,1H3,(H,25,30)/t22-/m0/s1
InChIKeyPXVIRZDBCBAWQE-QFIPXVFZSA-N
XLogP1.87
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[2-[(2R)-2-fluoromorpholin-2-yl]ethyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of 2-benzyl-N-[2-[(2R)-2-fluoromorpholin-2-yl]ethyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide (CID 164613493) is 2-benzyl-N-[2-[(2R)-2-fluoromorpholin-2-yl]ethyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-[2-[(2R)-2-fluoromorpholin-2-yl]ethyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-benzyl-N-[2-[(2R)-2-fluoromorpholin-2-yl]ethyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide is Cn1cc(-c2cc(C(=O)NCC[C@@]3(F)CNCCO3)cc(Cc3ccccc3)n2)nn1.
What is the InChIKey of 2-benzyl-N-[2-[(2R)-2-fluoromorpholin-2-yl]ethyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide?
The InChIKey is PXVIRZDBCBAWQE-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H25FN6O2/c1-29-14-20(27-28-29)19-13-17(12-18(26-19)11-16-5-3-2-4-6-16)21(30)25-8-7-22(23)15-24-9-10-31-22/h2-6,12-14,24H,7-11,15H2,1H3,(H,25,30)/t22-/m0/s1.
What are the key properties of 2-benzyl-N-[2-[(2R)-2-fluoromorpholin-2-yl]ethyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide?
2-benzyl-N-[2-[(2R)-2-fluoromorpholin-2-yl]ethyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[2-[(2R)-2-fluoromorpholin-2-yl]ethyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 164613493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).