5-chloro-4,6-dimethyl-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyridine-3-carboxamide

C17H16ClN5O3 — CID 119059891

IUPAC5-chloro-4,6-dimethyl-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(=O)NCCc2nc(-c3cccnc3)no2)c(C)c1Cl
InChIInChI=1S/C17H16ClN5O3/c1-9-13(17(25)21-10(2)14(9)18)16(24)20-7-5-12-22-15(23-26-12)11-4-3-6-19-8-11/h3-4,6,8H,5,7H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyXPBILMFFXGWPEO-UHFFFAOYSA-N
MW373.80 g/mol
LogP2.06
Rot. Bonds5

About 5-chloro-4,6-dimethyl-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyridine-3-carboxamide

5-chloro-4,6-dimethyl-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyridine-3-carboxamide (PubChem CID 119059891) has the molecular formula C17H16ClN5O3 and a molecular weight of 373.80 g/mol. Its IUPAC name is 5-chloro-4,6-dimethyl-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-4,6-dimethyl-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyridine-3-carboxamide
PubChem CID119059891
Molecular FormulaC17H16ClN5O3
Molecular Weight373.80 g/mol
Exact Mass373.09
IUPAC Name5-chloro-4,6-dimethyl-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(=O)NCCc2nc(-c3cccnc3)no2)c(C)c1Cl
InChIInChI=1S/C17H16ClN5O3/c1-9-13(17(25)21-10(2)14(9)18)16(24)20-7-5-12-22-15(23-26-12)11-4-3-6-19-8-11/h3-4,6,8H,5,7H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyXPBILMFFXGWPEO-UHFFFAOYSA-N
XLogP2.06
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-4,6-dimethyl-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-chloro-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 119074643
2-(3-methyl-1,2-oxazol-5-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 90647929
4-methyl-N-[3-oxo-3-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethylamino]propyl]benzamide
CID 91772799
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridine-3-carboxamide
CID 4898022
4-methyl-2-oxo-6-piperidin-3-yl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide;hydrochloride
CID 171709894
N-[2-(4-chlorophenyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 22521072
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 3159643
2-(2-methyl-1H-indol-3-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 56738399
2-(5-methyl-7-oxo-2-phenylfuro[3,2-b]pyran-3-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 134716799
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 3-[(2-methylbenzoyl)amino]propanoate
CID 55568394
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-methylpyridine-3-carboxamide
CID 71931147
methyl 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474655

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4,6-dimethyl-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-4,6-dimethyl-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyridine-3-carboxamide (CID 119059891) is 5-chloro-4,6-dimethyl-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-4,6-dimethyl-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-4,6-dimethyl-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyridine-3-carboxamide is Cc1[nH]c(=O)c(C(=O)NCCc2nc(-c3cccnc3)no2)c(C)c1Cl.
What is the InChIKey of 5-chloro-4,6-dimethyl-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyridine-3-carboxamide?
The InChIKey is XPBILMFFXGWPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O3/c1-9-13(17(25)21-10(2)14(9)18)16(24)20-7-5-12-22-15(23-26-12)11-4-3-6-19-8-11/h3-4,6,8H,5,7H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of 5-chloro-4,6-dimethyl-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyridine-3-carboxamide?
5-chloro-4,6-dimethyl-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyridine-3-carboxamide has a molecular weight of 373.80 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4,6-dimethyl-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 119059891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).