N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide

C22H22FN7O2 — CID 72699855

IUPACN-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide
SMILESCCN(C(=O)c1nc(C)ccc1-n1nccn1)[C@@H](C)Cc1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H22FN7O2/c1-4-29(22(31)20-18(10-5-14(2)26-20)30-24-11-12-25-30)15(3)13-19-27-21(32-28-19)16-6-8-17(23)9-7-16/h5-12,15H,4,13H2,1-3H3/t15-/m0/s1
InChIKeySSVVKBOEKJMVND-HNNXBMFYSA-N
MW435.46 g/mol
LogP3.25
Rot. Bonds7

About N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide

N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide (PubChem CID 72699855) has the molecular formula C22H22FN7O2 and a molecular weight of 435.46 g/mol. Its IUPAC name is N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide
PubChem CID72699855
Molecular FormulaC22H22FN7O2
Molecular Weight435.46 g/mol
Exact Mass435.18
IUPAC NameN-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide
SMILESCCN(C(=O)c1nc(C)ccc1-n1nccn1)[C@@H](C)Cc1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H22FN7O2/c1-4-29(22(31)20-18(10-5-14(2)26-20)30-24-11-12-25-30)15(3)13-19-27-21(32-28-19)16-6-8-17(23)9-7-16/h5-12,15H,4,13H2,1-3H3/t15-/m0/s1
InChIKeySSVVKBOEKJMVND-HNNXBMFYSA-N
XLogP3.25
TPSA102.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide (CID 72699855) is N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide is CCN(C(=O)c1nc(C)ccc1-n1nccn1)[C@@H](C)Cc1noc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide?
The InChIKey is SSVVKBOEKJMVND-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H22FN7O2/c1-4-29(22(31)20-18(10-5-14(2)26-20)30-24-11-12-25-30)15(3)13-19-27-21(32-28-19)16-6-8-17(23)9-7-16/h5-12,15H,4,13H2,1-3H3/t15-/m0/s1.
What are the key properties of N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide?
N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide has a molecular weight of 435.46 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 72699855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).