5-chloro-6-ethoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-carboxamide

C16H13ClN4O3 — CID 71931594

IUPAC5-chloro-6-ethoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-carboxamide
SMILESCCOc1ncc(C(=O)Nc2cccc(-c3nnco3)c2)cc1Cl
InChIInChI=1S/C16H13ClN4O3/c1-2-23-16-13(17)7-11(8-18-16)14(22)20-12-5-3-4-10(6-12)15-21-19-9-24-15/h3-9H,2H2,1H3,(H,20,22)
InChIKeyJMBBZSDKLYQMIW-UHFFFAOYSA-N
MW344.76 g/mol
LogP3.44
Rot. Bonds5

About 5-chloro-6-ethoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-carboxamide

5-chloro-6-ethoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-carboxamide (PubChem CID 71931594) has the molecular formula C16H13ClN4O3 and a molecular weight of 344.76 g/mol. Its IUPAC name is 5-chloro-6-ethoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-ethoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-carboxamide
PubChem CID71931594
Molecular FormulaC16H13ClN4O3
Molecular Weight344.76 g/mol
Exact Mass344.07
IUPAC Name5-chloro-6-ethoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-carboxamide
SMILESCCOc1ncc(C(=O)Nc2cccc(-c3nnco3)c2)cc1Cl
InChIInChI=1S/C16H13ClN4O3/c1-2-23-16-13(17)7-11(8-18-16)14(22)20-12-5-3-4-10(6-12)15-21-19-9-24-15/h3-9H,2H2,1H3,(H,20,22)
InChIKeyJMBBZSDKLYQMIW-UHFFFAOYSA-N
XLogP3.44
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.76
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethoxyphenyl)sulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 30823439
5-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 47164595
3-methoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide
CID 86983478
4-(diethylsulfamoyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 30870727
2-ethoxy-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 51076681
3-(ethylamino)-2-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 62838743
2,4,5-trimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
CID 86928806
3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 55049776
3-ethylsulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 87002332
3,4,5-triethoxy-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]benzamide
CID 23649282
N-(3-chloro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9072722
2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 114897786

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-ethoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-carboxamide (CID 71931594) is 5-chloro-6-ethoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-ethoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-ethoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-carboxamide is CCOc1ncc(C(=O)Nc2cccc(-c3nnco3)c2)cc1Cl.
What is the InChIKey of 5-chloro-6-ethoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is JMBBZSDKLYQMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O3/c1-2-23-16-13(17)7-11(8-18-16)14(22)20-12-5-3-4-10(6-12)15-21-19-9-24-15/h3-9H,2H2,1H3,(H,20,22).
What are the key properties of 5-chloro-6-ethoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-carboxamide?
5-chloro-6-ethoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 344.76 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 71931594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).