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

C13H15ClN4O3 — CID 118784140

IUPAC5-chloro-6-oxo-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-3-carboxamide
SMILESCC(C)c1nc(CCNC(=O)c2c[nH]c(=O)c(Cl)c2)no1
InChIInChI=1S/C13H15ClN4O3/c1-7(2)13-17-10(18-21-13)3-4-15-11(19)8-5-9(14)12(20)16-6-8/h5-7H,3-4H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyVTWFHFPAVRCWFS-UHFFFAOYSA-N
MW310.74 g/mol
LogP1.51
Rot. Bonds5

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

5-chloro-6-oxo-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-3-carboxamide (PubChem CID 118784140) has the molecular formula C13H15ClN4O3 and a molecular weight of 310.74 g/mol. Its IUPAC name is 5-chloro-6-oxo-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-oxo-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-3-carboxamide
PubChem CID118784140
Molecular FormulaC13H15ClN4O3
Molecular Weight310.74 g/mol
Exact Mass310.08
IUPAC Name5-chloro-6-oxo-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-3-carboxamide
SMILESCC(C)c1nc(CCNC(=O)c2c[nH]c(=O)c(Cl)c2)no1
InChIInChI=1S/C13H15ClN4O3/c1-7(2)13-17-10(18-21-13)3-4-15-11(19)8-5-9(14)12(20)16-6-8/h5-7H,3-4H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyVTWFHFPAVRCWFS-UHFFFAOYSA-N
XLogP1.51
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide
CID 91761022
5-chloro-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
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2-[2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 86285890
4-(2,4-dioxoimidazolidin-1-yl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 118764526
5-chloro-6-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide
CID 77088849
5-(5-methylfuran-2-yl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 118780006
3-chloro-4-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 103736148
1-(4-aminocyclohexyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
CID 70742026
3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea
CID 137150739
2-chloro-6-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
CID 104952518
5-chloro-6-oxo-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1H-pyridine-3-carboxamide
CID 90563062
3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 118774071

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-oxo-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-oxo-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-3-carboxamide (CID 118784140) is 5-chloro-6-oxo-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-oxo-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-oxo-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-3-carboxamide is CC(C)c1nc(CCNC(=O)c2c[nH]c(=O)c(Cl)c2)no1.
What is the InChIKey of 5-chloro-6-oxo-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-3-carboxamide?
The InChIKey is VTWFHFPAVRCWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O3/c1-7(2)13-17-10(18-21-13)3-4-15-11(19)8-5-9(14)12(20)16-6-8/h5-7H,3-4H2,1-2H3,(H,15,19)(H,16,20).
What are the key properties of 5-chloro-6-oxo-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-3-carboxamide?
5-chloro-6-oxo-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-3-carboxamide has a molecular weight of 310.74 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-oxo-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 118784140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).