N-methyl-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridine-3-carboxamide

C17H17N5O3 — CID 175957219

IUPACN-methyl-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])Oc1c(Nc2ncccc2C(=O)NC)cccc1-c1noc(C)n1
InChIInChI=1S/C17H17N5O3/c1-10-20-16(22-25-10)11-6-4-8-13(14(11)24-3)21-15-12(17(23)18-2)7-5-9-19-15/h4-9H,1-3H3,(H,18,23)(H,19,21)/i3D3
InChIKeyQFUFSHZZABZXDK-HPRDVNIFSA-N
MW342.37 g/mol
LogP2.55
Rot. Bonds6

About N-methyl-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridine-3-carboxamide

N-methyl-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridine-3-carboxamide (PubChem CID 175957219) has the molecular formula C17H17N5O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-methyl-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridine-3-carboxamide
PubChem CID175957219
Molecular FormulaC17H17N5O3
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC NameN-methyl-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])Oc1c(Nc2ncccc2C(=O)NC)cccc1-c1noc(C)n1
InChIInChI=1S/C17H17N5O3/c1-10-20-16(22-25-10)11-6-4-8-13(14(11)24-3)21-15-12(17(23)18-2)7-5-9-19-15/h4-9H,1-3H3,(H,18,23)(H,19,21)/i3D3
InChIKeyQFUFSHZZABZXDK-HPRDVNIFSA-N
XLogP2.55
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridine-3-carboxamide?
The IUPAC name of N-methyl-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridine-3-carboxamide (CID 175957219) is N-methyl-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridine-3-carboxamide is [2H]C([2H])([2H])Oc1c(Nc2ncccc2C(=O)NC)cccc1-c1noc(C)n1.
What is the InChIKey of N-methyl-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridine-3-carboxamide?
The InChIKey is QFUFSHZZABZXDK-HPRDVNIFSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-10-20-16(22-25-10)11-6-4-8-13(14(11)24-3)21-15-12(17(23)18-2)7-5-9-19-15/h4-9H,1-3H3,(H,18,23)(H,19,21)/i3D3.
What are the key properties of N-methyl-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridine-3-carboxamide?
N-methyl-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridine-3-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 175957219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).