N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-chloropyridine-4-carboxamide

C13H15ClN4O2 — CID 118786248

IUPACN-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-chloropyridine-4-carboxamide
SMILESCC(C)(C)c1noc(CNC(=O)c2ccncc2Cl)n1
InChIInChI=1S/C13H15ClN4O2/c1-13(2,3)12-17-10(20-18-12)7-16-11(19)8-4-5-15-6-9(8)14/h4-6H,7H2,1-3H3,(H,16,19)
InChIKeyGLWHBRIVUYBIIZ-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.35
Rot. Bonds3

About N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-chloropyridine-4-carboxamide

N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-chloropyridine-4-carboxamide (PubChem CID 118786248) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-chloropyridine-4-carboxamide
PubChem CID118786248
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC NameN-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-chloropyridine-4-carboxamide
SMILESCC(C)(C)c1noc(CNC(=O)c2ccncc2Cl)n1
InChIInChI=1S/C13H15ClN4O2/c1-13(2,3)12-17-10(20-18-12)7-16-11(19)8-4-5-15-6-9(8)14/h4-6H,7H2,1-3H3,(H,16,19)
InChIKeyGLWHBRIVUYBIIZ-UHFFFAOYSA-N
XLogP2.35
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-4-carboxamide
CID 103714838
3-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-carboxamide
CID 105069474
3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 66462440
3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
CID 106399917
3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide
CID 103714844
3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867
3-chloro-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 115667227
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloropyridine-4-carboxamide
CID 79079783
3-chloro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-4-carboxamide
CID 91643727
3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 115667770
3-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide
CID 114942605
N-but-2-ynyl-3-chloropyridine-4-carboxamide
CID 115866885

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-chloropyridine-4-carboxamide?
The IUPAC name of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-chloropyridine-4-carboxamide (CID 118786248) is N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-chloropyridine-4-carboxamide.
What is the SMILES notation for N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-chloropyridine-4-carboxamide?
The canonical SMILES for N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-chloropyridine-4-carboxamide is CC(C)(C)c1noc(CNC(=O)c2ccncc2Cl)n1.
What is the InChIKey of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-chloropyridine-4-carboxamide?
The InChIKey is GLWHBRIVUYBIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-13(2,3)12-17-10(20-18-12)7-16-11(19)8-4-5-15-6-9(8)14/h4-6H,7H2,1-3H3,(H,16,19).
What are the key properties of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-chloropyridine-4-carboxamide?
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-chloropyridine-4-carboxamide has a molecular weight of 294.74 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-chloropyridine-4-carboxamide is sourced from PubChem (CID 118786248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).