2,6-dichloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide

C11H10Cl2N4O2 — CID 113230361

IUPAC2,6-dichloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
SMILESCc1noc(CCNC(=O)c2ccc(Cl)nc2Cl)n1
InChIInChI=1S/C11H10Cl2N4O2/c1-6-15-9(19-17-6)4-5-14-11(18)7-2-3-8(12)16-10(7)13/h2-3H,4-5H2,1H3,(H,14,18)
InChIKeyAOGMJEUYLMDFDR-UHFFFAOYSA-N
MW301.13 g/mol
LogP2.05
Rot. Bonds4

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

2,6-dichloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide (PubChem CID 113230361) has the molecular formula C11H10Cl2N4O2 and a molecular weight of 301.13 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
PubChem CID113230361
Molecular FormulaC11H10Cl2N4O2
Molecular Weight301.13 g/mol
Exact Mass300.02
IUPAC Name2,6-dichloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
SMILESCc1noc(CCNC(=O)c2ccc(Cl)nc2Cl)n1
InChIInChI=1S/C11H10Cl2N4O2/c1-6-15-9(19-17-6)4-5-14-11(18)7-2-3-8(12)16-10(7)13/h2-3H,4-5H2,1H3,(H,14,18)
InChIKeyAOGMJEUYLMDFDR-UHFFFAOYSA-N
XLogP2.05
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 106422051
2-amino-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106422930
2,4-dibromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 103882691
2,4-diamino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413367
3-chloro-6-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 106422909
4-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-sulfanylbenzamide
CID 106423390
N-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide
CID 106993229
2-(ethylamino)-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106422949
2-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfanylbenzamide
CID 106423395
2-amino-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413315
3,5-dihydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 103892309
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 106414702

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide (CID 113230361) is 2,6-dichloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide is Cc1noc(CCNC(=O)c2ccc(Cl)nc2Cl)n1.
What is the InChIKey of 2,6-dichloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is AOGMJEUYLMDFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O2/c1-6-15-9(19-17-6)4-5-14-11(18)7-2-3-8(12)16-10(7)13/h2-3H,4-5H2,1H3,(H,14,18).
What are the key properties of 2,6-dichloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide?
2,6-dichloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 301.13 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 113230361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).