N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide

C17H17N5O3S — CID 91819345

IUPACN-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCCOc1ccc(-c2noc(CNC(=O)c3cccnc3SC)n2)cn1
InChIInChI=1S/C17H17N5O3S/c1-3-24-13-7-6-11(9-19-13)15-21-14(25-22-15)10-20-16(23)12-5-4-8-18-17(12)26-2/h4-9H,3,10H2,1-2H3,(H,20,23)
InChIKeySIIWLKMZAMOHAB-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.58
Rot. Bonds7

About N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide

N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 91819345) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID91819345
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC NameN-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCCOc1ccc(-c2noc(CNC(=O)c3cccnc3SC)n2)cn1
InChIInChI=1S/C17H17N5O3S/c1-3-24-13-7-6-11(9-19-13)15-21-14(25-22-15)10-20-16(23)12-5-4-8-18-17(12)26-2/h4-9H,3,10H2,1-2H3,(H,20,23)
InChIKeySIIWLKMZAMOHAB-UHFFFAOYSA-N
XLogP2.58
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide with MolForge

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Related Compounds

N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 91819293
N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 119104940
N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 91819320
N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 91819274
N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 91819291
(2S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylpropanamide
CID 100759002
N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)benzamide
CID 91819290
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methylsulfanylpyridine-3-carboxylate
CID 16529596
(3S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide
CID 100758962
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
CID 8765691
N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropanamide
CID 56923225

Frequently Asked Questions

What is the IUPAC name of N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide (CID 91819345) is N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide is CCOc1ccc(-c2noc(CNC(=O)c3cccnc3SC)n2)cn1.
What is the InChIKey of N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is SIIWLKMZAMOHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-3-24-13-7-6-11(9-19-13)15-21-14(25-22-15)10-20-16(23)12-5-4-8-18-17(12)26-2/h4-9H,3,10H2,1-2H3,(H,20,23).
What are the key properties of N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide?
N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 91819345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).